cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/fedjqhysupdzqw-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (5-bromo-11-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C28H24BrOP/c29-27-19-21-11-15-23(27)16-12-22-14-18-24(17-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-11,14-15,18-20H,12-13,16-17H2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (126 MHz, CDCl3, ppm) δ = 145.9 (d, J = 8.0 Hz, Cq, CAr), 142.3 (Cq, CAr), 139.4 (d, J = 12.7 Hz, Cq, CAr), 138.4 (Cq, CAr), 137.2 (+, d, J = 13.2 Hz, CH, CAr), 136.9 (+, CH, CAr), 135.4 (+, d, J = 11.8 Hz, CH, CAr), 135.1 (+, d, J = 104.1 Hz, Cq, CAr), 134.7 (+, CH, CAr), 133.4 (+, CH, CAr), 132.7 (+, d, J = 2.8 Hz, CH, CAr), 132.7 (+, d, J = 103.4 Hz, Cq, CAr), 132.2 (+, d, J = 9.1 Hz, CH, CAr), 131.8 (+, d, J = 10.0 Hz, CH, CAr), 131.7 (+, d, J = 2.7 Hz, CH, CAr), 131.6 (+, d, J = 2.4 Hz, CH, CAr), 131.5 (+, d, J = 10.0 Hz, 2C, CH, CAr), 131.0 (d, J = 105.2 Hz, Cq, CAr), 128.5 (+, t, J = 12.2 Hz, 4C, CH, CAr), 126.1 (Cq, CAr), 35.4 (–, d, J = 4.4 Hz, CH2), 35.0 (–, d, J = 5.5 Hz, 2C, CH2), 33.3 (–, CH2).
DOI: 10.14272/fedjqhysupdzqw-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (5-bromo-11-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C28H24BrOP/c29-27-19-21-11-15-23(27)16-12-22-14-18-24(17-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-11,14-15,18-20H,12-13,16-17H2

description: dataset for mass spectrometry (MS) HRMS (C28H24BrOP) calc. 486.0743; found 486.0741.
DOI: 10.14272/fedjqhysupdzqw-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (5-bromo-11-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene)
title: InChI=1S/C28H24BrOP/c29-27-19-21-11-15-23(27)16-12-22-14-18-24(17-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-11,14-15,18-20H,12-13,16-17H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d, ppm) δ = 7.74–7.63 (m, 2H), 7.58–7.43 (m, 6H), 7.42–7.34 (m, 2H), 7.29 (td, J = 7.9 Hz, J = 1.9 Hz, 2H), 6.60 (d, J = 1.7 Hz, 1H), 6.55 (dd, J = 7.7 Hz, J = 4.2 Hz, 1H), 6.28–6.25 (m, 1H), 6.25–6.20 (m, 1H), 3.62–3.51 (m, 1H), 3.50–3.35 (m, 2H), 3.26–3.04 (m, 1H), 2.98–2.68 (m, 4H).
DOI: 10.14272/fedjqhysupdzqw-uhfffaoysa-n.1
title: 5-bromo-11-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
title: InChI=1S/C28H24BrOP/c29-27-19-21-11-15-23(27)16-12-22-14-18-24(17-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-11,14-15,18-20H,12-13,16-17H2

description: This dataset contains experimental data from a sample (5-bromo-11-diphenylphosphoryltricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene, InChI=1S/C28H24BrOP/c29-27-19-21-11-15-23(27)16-12-22-14-18-24(17-13-21)28(20-22)31(30,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-11,14-15,18-20H,12-13,16-17H2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS)
DOI: 10.21227/zw79-0r83
title: A Fairly Simple Mechatronic Device for Training Human Wrist Motion

description: This paper proposes a novel device for wrist motion rehabilitation. The proposed mechatronic architecture is based on a simple user-friendly design, which includes a mobile platform for hand support, which is operated by a single actuator. A dedicated assist-as-needed control is designed to operate the device for the required movements. The proposed control strategy is also integrated into a gaming software for stimulating the exercising by means of various interactions with patients. Experimental tests are carried out with fourteen healthy subjects at thePhysiotherapyClinical Hospital of theFederal University of Uberlandia(UFU). Also three patients with stroke have been enrolled in a pilot clinical testing. Each of the patients has been involved in 4 sessions/month with 15 minutes of assisted treatment. Results of experimental tests are analyzed in terms of improvements and amplitude gains for the flexion and extension wrist movements. Experimental results are reported as evidences for the feasibility and soundness of the proposed device as a tool to assist professionals in procedures of wrist rehabilitation.
DOI: 10.5281/zenodo.3885509
title: Experimental and Simulation Results of "Hemodynamic study in 3D printed stenotic coronary artery models: experimental validation and transient simulation"

description: This repository contains the experimental and simulation results of the submitted article "Hemodynamic study in 3D printed stenotic coronary artery models: experimental validation and transient simulation" by Carvalho, V., Rodrigues, N., Ribeiro, R., Costa, P., Lima, R., Teixeira, S.
description: This work was supported by FCT—Fundação para a Ciência e Tecnologia within the R&D Units Project Scope: UIDB/00319/2020, UIDB/04077/2020. This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No 798014. This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 828835.
DOI: 10.14272/dwwvljoqodkvii-uhfffaoysa-n.1
title: 4-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyridine
title: InChI=1S/C18H16N2/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3

description: This dataset contains experimental data from a sample (4-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyridine, InChI=1S/C18H16N2/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS) ultraviolet-visible spectrophotometry (UV-VIS)
DOI: 10.14272/dwwvljoqodkvii-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (4-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyridine)
title: InChI=1S/C18H16N2/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C18H16N2, 260.1313; found, 260.1309.
DOI: 10.14272/dwwvljoqodkvii-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (4-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyridine)
title: InChI=1S/C18H16N2/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 90 °C): 260 (100) [M]+, 245 (17) [M–CH3]+, 182 (4) [M–C5H4N]+. HRMS–EI (m/z): [M]+ calcd for C18H16N2, 260.1313; found, 260.1309.
DOI: 10.14272/dwwvljoqodkvii-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (4-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyridine)
title: InChI=1S/C18H16N2/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 149.7 (4C, CH), 149.4 (2C, Cq), 139.3 (2C, Cq), 132.9 (2C, Cq), 131.7 (2C, CH), 124.3 (4C, CH), 19.9 (2C, ArCH3).
DOI: 10.14272/dwwvljoqodkvii-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) (4-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyridine)
title: InChI=1S/C18H16N2/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (CH2Cl2), λmax(log ε) = 260 (0.958).
DOI: 10.14272/dwwvljoqodkvii-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (4-(2,5-dimethyl-4-pyridin-4-ylphenyl)pyridine)
title: InChI=1S/C18H16N2/c1-13-11-18(16-5-9-20-10-6-16)14(2)12-17(13)15-3-7-19-8-4-15/h3-12H,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.68 (d, 4H, J = 6.0 Hz, CH), 7.31 (d, 4H, J = 6.0 Hz, CH), 7.15 (s, 2H, CH), 2.29 (s, 6H, ArCH3).
DOI: 10.14272/ipgbhwdwcahdhx-uhfffaoysa-n.1
title: C19H24BNO2
title: InChI=1S/C19H24BNO2/c1-13-12-17(20-22-18(3,4)19(5,6)23-20)14(2)11-16(13)15-7-9-21-10-8-15/h7-12H,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C19H24BNO2/c1-13-12-17(20-22-18(3,4)19(5,6)23-20)14(2)11-16(13)15-7-9-21-10-8-15/h7-12H,1-6H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/ipgbhwdwcahdhx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C19H24BNO2/c1-13-12-17(20-22-18(3,4)19(5,6)23-20)14(2)11-16(13)15-7-9-21-10-8-15/h7-12H,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.65 (d, 2H, J = 6.0 Hz, CH), 7.69 (s, 1H, CH), 7.31 (d, 2H, J = 6.0 Hz, CH), 7.03 (s, 1H, CH), 2.54 (s, 3H, ArCH3), 2.24 (s, 3H, ArCH3), 1.36 (s, 12H, CH3).
DOI: 10.14272/ipgbhwdwcahdhx-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C19H24BNO2/c1-13-12-17(20-22-18(3,4)19(5,6)23-20)14(2)11-16(13)15-7-9-21-10-8-15/h7-12H,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 149.2 (2C, CH), 148.8 (Cq), 142.8 (Cq), 141.2 (Cq), 138.4 (CH), 131.2 (2C, Cq), 130.8 (CH), 124.4 (2C, CH), 83.8 (2C, Cq), 25.0 (4C, CH3), 21.8 (ArCH3), 19.6 (ArCH3).
DOI: 10.14272/ipgbhwdwcahdhx-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C19H24BNO2/c1-13-12-17(20-22-18(3,4)19(5,6)23-20)14(2)11-16(13)15-7-9-21-10-8-15/h7-12H,1-6H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 80 °C): 309 (62) [M]+, 294 (14) [M–CH3]+, 252 (100) [M–C(CH3)2–CH3]+, 182 (16) [M–Bpin]+. HRMS–EI (m/z): [M]+ calcd for C19H24BNO2, 309.1900; found, 309.1899.
DOI: 10.14272/ipgbhwdwcahdhx-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C19H24BNO2/c1-13-12-17(20-22-18(3,4)19(5,6)23-20)14(2)11-16(13)15-7-9-21-10-8-15/h7-12H,1-6H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C19H24BNO2, 309.1900; found, 309.1899.
DOI: 10.5066/p9sebj3x
title: Aerial photographs from the Yampa and Little Snake Rivers in northwest Colorado used to characterize channel changes occurring between 1954 and 1961

description: Aerial photographs of the Yampa and Little Snake Rivers acquired in 1954 and 1961 were used to examine channel changes occurring along these two rivers during this time period. In addition, these data were used to develop and test a generalizable new approach to characterizing the uncertainty associated with analyses of channel change based on time series of remotely sensed data, which we term the Spatially Distributed Probabilistic (SDP) method. This technique accounts for errors introduced during: 1) image co-registration and geo-referencing; 2) interpreting the location of the channel boundary; and 3) digitizing the channel boundary. The method provides a probability distribution of channel locations and can be used to calculate error bounds associated with polygons of erosion and deposition and thus net sediment flux. The Yampa and Little Snake Rivers were used as a case study to illustrate an application of the new SDP method and this data release provided all of the data needed to perform an SDP analysis for this example. The data sets available here include: 1) air photo mosaics from 1954, 1961, and 2017, with the most recent coverage used as a base for geo-referencing the older photos; 2) test points used to quantify spatially varying co-registration error; and 3) active channel polygons digitized from the 1954 and 1961 air photos and used to create polygons of erosion and deposition. Software for implementing the SDP method and an example script that illustrates how to perform this type of analysis using data from the Yampa and Little Snake Rivers as a case study is available from the Center for Colorado River Studies at Utah State University.
DOI: 10.5281/zenodo.3895275
title: N immobilization treatment revisited: a retarded and temporary effect unfolded in old field restoration

description: Data and R script for the manuscript
DOI: 10.14272/vckiqsatazpkjv-uhfffaoysa-n.1
title: methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate
title: InChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3

description: This dataset contains experimental data from a sample (methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate, InChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) elemental analysis (EA)
DOI: 10.14272/vckiqsatazpkjv-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate)
title: InChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 80 °C): 298 (33) [M]+, 267 (10) [M–OCH3]+, 149 (100) [H2CC6H4CO2CH3]+. HRMS–EI (m/z): [M]+ calcd for C18H18O4, 298.1205; found, 298.1205.
DOI: 10.14272/vckiqsatazpkjv-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate)
title: InChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 7.94–7.93 (m, 4H, CH), 7.20–7.18 (m, 4H, CH), 3.90 (s, 6H, CO2CH3), 2.99 (s, 4H, C2H4).
DOI: 10.14272/vckiqsatazpkjv-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate)
title: InChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 167.2 (2C, CO2CH3), 146.6 (2C, Cq), 129.9 (4C, CH), 128.7 (4C, CH), 128.3 (2C, Cq), 52.1 (2C, CO2CH3), 37.5 (2C, C2H4).
DOI: 10.14272/vckiqsatazpkjv-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate)
title: InChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3064, 3026, 2958, 2946, 2924, 2859, 1718, 1608, 1453, 1429, 1412, 1310, 1275, 1191, 1173, 1106, 1089, 1018, 952, 856, 837, 768, 701, 520, 489, 384 cm–1.
DOI: 10.14272/vckiqsatazpkjv-uhfffaoysa-n/chmo0001075
title: elemental analysis (EA) (methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate)
title: InChI=1S/C18H18O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,3-4H2,1-2H3

description: dataset for elemental analysis (EA) EA (C18H18O4): Calcd C 72.47; H 6.08. Found C 71.78; H 5.99.
DOI: 10.14272/onihpyywnbvmid-uhfffaoysa-n.1
title: diethyl benzene-1,4-dicarboxylate
title: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

description: This dataset contains experimental data from a sample (diethyl benzene-1,4-dicarboxylate, InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) mass spectrometry (MS) infrared absorption spectroscopy (IR) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/onihpyywnbvmid-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (diethyl benzene-1,4-dicarboxylate)
title: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 165.8 (2C, CO2Et), 134.1 (2C, Cq), 129.4 (4C, CH), 61.4 (2C, OCH2CH3), 14.2 (2C, OCH2CH3).
DOI: 10.14272/onihpyywnbvmid-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (diethyl benzene-1,4-dicarboxylate)
title: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.10 (s, 4H, CH), 4.40 (q, 4H, J = 7.1 Hz, OCH2CH3), 1.41 (t, 6H, J = 7.1 Hz, OCH2CH3).
DOI: 10.14272/onihpyywnbvmid-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (diethyl benzene-1,4-dicarboxylate)
title: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 80 °C): 222 (23) [M]+, 193 (11) [M–Et]+, 177 (100) [M–OEt]+, 149 (46) [M–CO2Et]+. HRMS–EI (m/z): [M]+ calcd for C12H14O4, 222.0892; found, 222.0893.
DOI: 10.14272/onihpyywnbvmid-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (diethyl benzene-1,4-dicarboxylate)
title: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2990, 2972, 2941, 2907, 2877, 1943, 1713, 1677, 1504, 1475, 1449, 1408, 1390, 1361, 1320, 1265, 1244, 1159, 1126, 1112, 1099, 1079, 1018, 979, 871, 841, 815, 724, 503, 450 cm–1.
DOI: 10.14272/onihpyywnbvmid-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (diethyl benzene-1,4-dicarboxylate)
title: InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C12H14O4, 222.0892; found, 222.0893.
DOI: 10.14272/iydnqacozqkgoc-uhfffaoysa-n.1
title: C18H16N2O8
title: InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3

description: This dataset contains experimental data from a sample (InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) ultraviolet-visible spectrophotometry (UV-VIS) mass spectrometry (MS) elemental analysis (EA)
DOI: 10.14272/iydnqacozqkgoc-uhfffaoysa-n/chmo0001075
title: elemental analysis (EA) ()
title: InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3

description: dataset for elemental analysis (EA) EA (C18H16N2O8): Calcd C 55.67; H 4.15; N 7.21. Found C 54.31; H 3.98; N 7.05.
DOI: 10.14272/iydnqacozqkgoc-uhfffaoysa-n/chmo0000292
title: ultraviolet-visible spectrophotometry (UV-VIS) ()
title: InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3

description: dataset for ultraviolet-visible spectrophotometry (UV-VIS) UV-VIS (CH2Cl2), λmax = 232 nm.
DOI: 10.14272/iydnqacozqkgoc-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3003, 2953, 1715, 1615, 1523, 1486, 1431, 1350, 1290, 1264, 1191, 1140, 1113, 1068, 986, 922, 866, 822, 758, 713, 677, 537 cm–1.
DOI: 10.14272/iydnqacozqkgoc-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 180 °C): 388 (1) [M]+, 357 (11) [M–OCH3]+, 194 (50) [M/2]+. HRMS–EI (m/z): [M]+ calcd for C18H16N2O8, 388.0907; found, 388.0906.
DOI: 10.14272/iydnqacozqkgoc-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CDCl3, ppm) δ = 8.62 (d, 2H, J = 1.5 Hz, CH), 8.20 (dd, 2H, J = 8.0 Hz, J = 1.5 Hz, CH), 7.51 (d, 2H, J = 8.0 Hz, CH), 3.98 (s, 6H, CO2CH3), 3.33 (s, 4H, C2H4).
DOI: 10.14272/iydnqacozqkgoc-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H16N2O8/c1-27-17(21)13-7-5-11(15(9-13)19(23)24)3-4-12-6-8-14(18(22)28-2)10-16(12)20(25)26/h5-10H,3-4H2,1-2H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CDCl3, ppm) δ = 165.0 (2C, CO2CH3), 149.3 (2C, Cq), 140.3 (2C, Cq), 134.0 (2C, CH), 132.9 (2C, CH), 130.4 (2C, Cq), 126.3 (2C, CH), 52.9 (2C, CO2CH3), 34.5 (2C, C2H4).
DOI: 10.14272/iugmvbudecypgb-uhfffaoysa-n/chmo0000593.1
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-azidoterephthalic acid)
title: InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, CD3OD, ppm) δ = 7.92 (d, 1H, J = 8.0 Hz, CH), 7.90 (d, 1H, J = 1.5 Hz, CH), 7.84 (dd, 1H, J = 8.0 Hz, J = 1.5 Hz, CH). Missing signal (2H, CO2H).
DOI: 10.14272/iugmvbudecypgb-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-azidoterephthalic acid)
title: InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, CD3OD, ppm) δ = 168.2 (CO2H), 167.8 (CO2H), 141.3 (Cq), 136.3 (Cq), 132.7 (CH), 128.6 (Cq), 126.6 (CH), 122.2 (CH).
DOI: 10.14272/iugmvbudecypgb-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (2-azidoterephthalic acid)
title: InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15)

description: dataset for mass spectrometry (MS) EI (m/z, 70 eV, 180 °C): 207 (8) [M]+, 179 (88) [M–N2]+, 123 (100). HRMS–EI (m/z): [M]+ calcd for C8H5N3O4, 207.0280; found, 207.0276.
DOI: 10.14272/iugmvbudecypgb-uhfffaoysa-n/chmo0000595.1
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (2-azidoterephthalic acid)
title: InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (125 MHz, DMSO-d6, ppm) δ = 166.1 (CO2H), 165.9 (CO2H), 138.8 (Cq), 134.5 (Cq), 131.2 (CH), 127.8 (Cq), 125.4 (CH), 121.1 (CH).
DOI: 10.14272/iugmvbudecypgb-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (2-azidoterephthalic acid)
title: InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15)

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C8H5N3O4, 207.0280; found, 207.0276.
DOI: 10.14272/iugmvbudecypgb-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (2-azidoterephthalic acid)
title: InChI=1S/C8H5N3O4/c9-11-10-6-3-4(7(12)13)1-2-5(6)8(14)15/h1-3H,(H,12,13)(H,14,15)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.51 (bs, 2H, CO2H), 7.84 (d, 1H, J = 8.5 Hz, CH), 7.78–7.76 (m, 2H, CH).
DOI: 10.5281/zenodo.3895254
title: SponsorVsContentDataset

description: A dataset constituted to train a neural network for detecting sponsors in video content.
DOI: 10.5281/zenodo.3895253
title: SponsorVsContentDataset

description: A dataset constituted to train a neural network for detecting sponsors in video content.