cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5066/f7dz07j2
title: Water Quality Profile and Phytoplankton Community Data for Four Central Louisiana Oxbow Lakes, 2013-2015

description: Nutrient and phytoplankton data indicate poor environmental health in four oxbow lakes in central Louisiana suggesting that long-term agriculture practices and increases in shoreline development have accelerated eutrophication. Surface-water quality and phytoplankton indicators of eutrophication were examined at Lake Bruin, Lake St. John, Lake St. Joseph, and False River Lake along an eutrophication gradient. These oxbow lakes are cut-off meanders of the Mississippi River that do not receive overbank flow from the river due to the levee system built in the early twentieth century. Oxbows have formed at various times in the last few hundred years as the Mississippi River carves a more efficient hydrologic route to the Gulf of Mexico and exhibit a succession of stages in lake evolution, from deep and oligotrophic to shallow and eutrophic. Water-quality samples were collected three times per year: once in late spring, once in late summer-early fall, and once in winter. Water samples were analyzed for major ions, nutrients, suspended sediments, pesticides, dissolved organic carbon, and chlorophyll. At each site, physiochemical properties (water temperature, specific conductance, dissolved oxygen, and pH) were recorded at multiple depths within a single vertical profile. Phytoplankton community samples and cyanotoxin samples were collected from the photic zone at the time of water-quality sample collection at one site per lake. This data release provides water quality profile and phytoplankton data for these lakes.
DOI: 10.5517/ccdc.csd.cc21jmks
title: CCDC 1892815: Experimental Crystal Structure Determination

description: Related Article: Xue-Yuan Wang, Jun Zhu, Qi-Qiang Wang, Yu-Fei Ao, De-Xian Wang|2019|Inorg.Chem.|58|5980|doi:10.1021/acs.inorgchem.9b00295
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21jmlt
title: CCDC 1892816: Experimental Crystal Structure Determination

description: Related Article: Xue-Yuan Wang, Jun Zhu, Qi-Qiang Wang, Yu-Fei Ao, De-Xian Wang|2019|Inorg.Chem.|58|5980|doi:10.1021/acs.inorgchem.9b00295
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21jmmv
title: CCDC 1892817: Experimental Crystal Structure Determination

description: Related Article: Xue-Yuan Wang, Jun Zhu, Qi-Qiang Wang, Yu-Fei Ao, De-Xian Wang|2019|Inorg.Chem.|58|5980|doi:10.1021/acs.inorgchem.9b00295
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21jmnw
title: CCDC 1892818: Experimental Crystal Structure Determination

description: Related Article: Xue-Yuan Wang, Jun Zhu, Qi-Qiang Wang, Yu-Fei Ao, De-Xian Wang|2019|Inorg.Chem.|58|5980|doi:10.1021/acs.inorgchem.9b00295
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21kk28
title: CCDC 1893699: Experimental Crystal Structure Determination

description: Related Article: Xiaofeng Peng, Xiaofei Zhang, Shunyao Li, Yunfu Lu, Lefu Lan, Chunhao Yang|2019|Org.Chem.Front.|6|1775|doi:10.1039/C9QO00324J
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.17632/33jnbk4f6b.1
title: Data for: Mechanistic Modeling of Carbonated Waterflooding

description: The uploaded data set includes two excel sheets: 1. calculation of CO2 solubility in the aqueous phase in mol/kgw 2. Results of Historymatching and sensetivity analysis of the paper PETROL12814
DOI: 10.17632/jgy3rwcyd7.1
title: Data for: Life Cycle Inventory of techniques for stone quarrying, cutting and finishing: contribution to fill data gaps.

description: Life Cycle Inventory datasets on the most common techniques of stone quarrying/cutting/finishing.
DOI: 10.17632/z7x6y9hzhv.1
title: Data for: Species-specific leaf surface temperature during summer drought signals differences in end-of-season senescence in a multi-species community

description: Plant ecophysiological measurements in the field at plots with different levels of soil water content, i.e. stomatal conductance, light-saturated photosynthetic rate, leaf surface temperature, leaf senescence.
DOI: 10.5517/ccdc.csd.cc20w3cd
title: CCDC 1873093: Experimental Crystal Structure Determination

description: Related Article: Jie Wang, Xin Li, Jin-Pei Cheng|2019|Sci.China.Chem.|62|649|doi:10.1007/s11426-018-9393-2
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.1560687
title: SNCA targeted gDNA: PacBio raw data

description: The landscape of SNCA transcripts across synucleinopathies: New insights from long reads sequencing analysis

 

<strong>gDNA capture using IDT xGen</strong><strong>® Lockdown</strong><strong>® Probes and single-molecule sequencing</strong>

2µg of each gDNA sample was sheared to 6kb using the Covaris g-TUBE and ligated with barcoded adapters. An equimolar pool of 12-plex barcoded gDNA library (2µg total) was input into the probe based capture with a custom designed SNCA gene panel.

A SMRTBell library was constructed using 626ng of captured and re-amplified gDNA (https://www.pacb.com/wp-content/uploads/Procedure-Checklist-%E2%80%93-Multiplex-Genomic-DNA-Target-Capture-Using-IDT-xGen-Lockdown-Probes.pdf).  A total of 3 SMRT Cells (6 hour movie) were sequenced on the PacBio Sequel platform using 2.0 chemistry.    

 

Barcodes used for gDNA demultiplexing

bc1001: gcagtcgaacatgtagctgactcaggtcacCACATATCAGAGTGCG<br>
bc1002: gcagtcgaacatgtagctgactcaggtcacACACACAGACTGTGAG<br>
bc1003: gcagtcgaacatgtagctgactcaggtcacACACATCTCGTGAGAG<br>
bc1004: gcagtcgaacatgtagctgactcaggtcacCACGCACACACGCGCG<br>
bc1005: gcagtcgaacatgtagctgactcaggtcacCACTCGACTCTCGCGT<br>
bc1006: gcagtcgaacatgtagctgactcaggtcacCATATATATCAGCTGT<br>
bc1007: gcagtcgaacatgtagctgactcaggtcacTCTGTATCTCTATGTG<br>
bc1008: gcagtcgaacatgtagctgactcaggtcacACAGTCGAGCGCTGCG<br>
bc1009: gcagtcgaacatgtagctgactcaggtcacACACACGCGAGACAGA<br>
bc1010: gcagtcgaacatgtagctgactcaggtcacACGCGCTATCTCAGAG<br>
bc1011: gcagtcgaacatgtagctgactcaggtcacCTATACGTATATCTAT<br>
bc1012: gcagtcgaacatgtagctgactcaggtcacACACTAGATCGCGTGT
description: Three PacBio Sequel 1M cells for targeted gDNA data of SNCA gene in multiplexed (PD, DLB, normal) samples.
DOI: 10.5281/zenodo.1560688
title: SNCA targeted gDNA: PacBio raw data

description: The landscape of SNCA transcripts across synucleinopathies: New insights from long reads sequencing analysis

 

<strong>gDNA capture using IDT xGen</strong><strong>® Lockdown</strong><strong>® Probes and single-molecule sequencing</strong>

2µg of each gDNA sample was sheared to 6kb using the Covaris g-TUBE and ligated with barcoded adapters. An equimolar pool of 12-plex barcoded gDNA library (2µg total) was input into the probe based capture with a custom designed SNCA gene panel.

A SMRTBell library was constructed using 626ng of captured and re-amplified gDNA (https://www.pacb.com/wp-content/uploads/Procedure-Checklist-%E2%80%93-Multiplex-Genomic-DNA-Target-Capture-Using-IDT-xGen-Lockdown-Probes.pdf).  A total of 3 SMRT Cells (6 hour movie) were sequenced on the PacBio Sequel platform using 2.0 chemistry.    

 

Barcodes used for gDNA demultiplexing

bc1001: gcagtcgaacatgtagctgactcaggtcacCACATATCAGAGTGCG<br>
bc1002: gcagtcgaacatgtagctgactcaggtcacACACACAGACTGTGAG<br>
bc1003: gcagtcgaacatgtagctgactcaggtcacACACATCTCGTGAGAG<br>
bc1004: gcagtcgaacatgtagctgactcaggtcacCACGCACACACGCGCG<br>
bc1005: gcagtcgaacatgtagctgactcaggtcacCACTCGACTCTCGCGT<br>
bc1006: gcagtcgaacatgtagctgactcaggtcacCATATATATCAGCTGT<br>
bc1007: gcagtcgaacatgtagctgactcaggtcacTCTGTATCTCTATGTG<br>
bc1008: gcagtcgaacatgtagctgactcaggtcacACAGTCGAGCGCTGCG<br>
bc1009: gcagtcgaacatgtagctgactcaggtcacACACACGCGAGACAGA<br>
bc1010: gcagtcgaacatgtagctgactcaggtcacACGCGCTATCTCAGAG<br>
bc1011: gcagtcgaacatgtagctgactcaggtcacCTATACGTATATCTAT<br>
bc1012: gcagtcgaacatgtagctgactcaggtcacACACTAGATCGCGTGT
description: Three PacBio Sequel 1M cells for targeted gDNA data of SNCA gene in multiplexed (PD, DLB, normal) samples.
DOI: 10.5281/zenodo.1581808
title: SNCA targeted cDNA: PacBio Iso-Seq raw data

description: <strong>The landscape of <em>SNCA</em> transcripts across </strong><strong>synucleinopathies</strong><strong>: New insights from long reads sequencing analysis</strong>

<strong>cDNA capture using IDT xGen</strong><strong>® Lockdown</strong><strong>® Probes and single-molecule Isoform-Sequencing (Iso-Seq)</strong>

100-150ng of total RNA per reaction was reverse transcribed using the Clontech SMARTer cDNA synthesis kit and 12 sample specific barcoded oligo dT (with PacBio 16mer barcode sequences, see Supplementary Methods).  Three reverse transcription (RT) reactions were processed in parallel for each sample. PCR optimization was used to determine the optimal amplification cycle number for the downstream large-scale PCR reactions. A single primer (primer IIA from the Clontech SMARTer kit 5’ AAG CAG TGG TAT CAA CGC AGA GTA C 3’) was used for all PCR reactions post-RT. Large scale PCR products were purified separately with 1X AMPure PB beads and the bioanalyzer was used for QC. An equimolar pool of 12-plex barcoded cDNA library (1µg total) was input into the probe based capture with a custom designed SNCA gene panel.

A SMRTBell library was constructed using 874ng of captured and re-amplified cDNA (https://www.pacb.com/wp-content/uploads/Procedure-Checklist-%E2%80%93-cDNA-Capture-Using-IDT-xGen-Lockdown-Probes.pdf).  One SMRT Cell (6 hour movie) was sequenced on the PacBio Sequel platform using 2.0 chemistry.  

 

 

The 5’ primer is identical for all patient samples: AAGCAGTGGTATCAACGCAGAGTACATGGG

The 3’ primer for the 12 patient samples are below:

PD-1: CGCACTCTGATATGTGGTACTCTGCGTTGATACCACTGCTT

PD-2: CTCACAGTCTGTGTGTGTACTCTGCGTTGATACCACTGCTT

PD-3: CTCTCACGAGATGTGTGTACTCTGCGTTGATACCACTGCTT

PD-4: CGCGCGTGTGTGCGTGGTACTCTGCGTTGATACCACTGCT

N-1: ACGCGAGAGTCGAGTGGTACTCTGCGTTGATACCACTGCTT

N-2: ACAGCTGATATATATGGTACTCTGCGTTGATACCACTGCTT

N-3: CACATAGAGATACAGAGTACTCTGCGTTGATACCACTGCTT

N-4: CGCAGCGCTCGACTGTGTACTCTGCGTTGATACCACTGCTT

DLB-1: TCTGTCTCGCGTGTGTGTACTCTGCGTTGATACCACTGCTT

DLB-2: CTCTGAGATAGCGCGTGTACTCTGCGTTGATACCACTGCTT

DLB-3: ATAGATATACGTATAGGTACTCTGCGTTGATACCACTGCTT

DLB-4: ACACGCGATCTAGTGTGTACTCTGCGTTGATACCACTGCTT
DOI: 10.5281/zenodo.1581809
title: SNCA targeted cDNA: PacBio Iso-Seq raw data

description: <strong>The landscape of <em>SNCA</em> transcripts across </strong><strong>synucleinopathies</strong><strong>: New insights from long reads sequencing analysis</strong>

<strong>cDNA capture using IDT xGen</strong><strong>® Lockdown</strong><strong>® Probes and single-molecule Isoform-Sequencing (Iso-Seq)</strong>

100-150ng of total RNA per reaction was reverse transcribed using the Clontech SMARTer cDNA synthesis kit and 12 sample specific barcoded oligo dT (with PacBio 16mer barcode sequences, see Supplementary Methods).  Three reverse transcription (RT) reactions were processed in parallel for each sample. PCR optimization was used to determine the optimal amplification cycle number for the downstream large-scale PCR reactions. A single primer (primer IIA from the Clontech SMARTer kit 5’ AAG CAG TGG TAT CAA CGC AGA GTA C 3’) was used for all PCR reactions post-RT. Large scale PCR products were purified separately with 1X AMPure PB beads and the bioanalyzer was used for QC. An equimolar pool of 12-plex barcoded cDNA library (1µg total) was input into the probe based capture with a custom designed SNCA gene panel.

A SMRTBell library was constructed using 874ng of captured and re-amplified cDNA (https://www.pacb.com/wp-content/uploads/Procedure-Checklist-%E2%80%93-cDNA-Capture-Using-IDT-xGen-Lockdown-Probes.pdf).  One SMRT Cell (6 hour movie) was sequenced on the PacBio Sequel platform using 2.0 chemistry.  

 

 

The 5’ primer is identical for all patient samples: AAGCAGTGGTATCAACGCAGAGTACATGGG

The 3’ primer for the 12 patient samples are below:

PD-1: CGCACTCTGATATGTGGTACTCTGCGTTGATACCACTGCTT

PD-2: CTCACAGTCTGTGTGTGTACTCTGCGTTGATACCACTGCTT

PD-3: CTCTCACGAGATGTGTGTACTCTGCGTTGATACCACTGCTT

PD-4: CGCGCGTGTGTGCGTGGTACTCTGCGTTGATACCACTGCT

N-1: ACGCGAGAGTCGAGTGGTACTCTGCGTTGATACCACTGCTT

N-2: ACAGCTGATATATATGGTACTCTGCGTTGATACCACTGCTT

N-3: CACATAGAGATACAGAGTACTCTGCGTTGATACCACTGCTT

N-4: CGCAGCGCTCGACTGTGTACTCTGCGTTGATACCACTGCTT

DLB-1: TCTGTCTCGCGTGTGTGTACTCTGCGTTGATACCACTGCTT

DLB-2: CTCTGAGATAGCGCGTGTACTCTGCGTTGATACCACTGCTT

DLB-3: ATAGATATACGTATAGGTACTCTGCGTTGATACCACTGCTT

DLB-4: ACACGCGATCTAGTGTGTACTCTGCGTTGATACCACTGCTT
DOI: 10.17638/datacat.liverpool.ac.uk/699
title: Paper Data Source (Sub-surface imaging of soiled cotton fabric
using full-field optical coherence tomography)
DOI: 10.17632/wv3kt9f95j.1
title: Data for: Refined insight into 40Ar/39Ar progressive crushing technique from K-Cl-Ar correlations in fluid inclusions

description: Animation of 3D-diagrams of K-Cl-Ar
DOI: 10.5066/p9sa4lzz
title: Water level test data for groundwater monitoring wells near Three Oaks Recreational Area, Crystal Lake, Illinois
DOI: 10.5281/zenodo.2634564
title: Real-time optical and electronic sensing with a β-amino enone linked, triazine-containing 2D covalent organic framework

description: [This repository contains the source data for the manuscript "<strong>Real-time optical and electronic sensing with a β-amino enone linked, triazine-containing 2D covalent organic framework</strong>" https://nature-research-under-consideration.nature.com/users/37265-nature-communications/posts/47951-a-real-time-optical-and-electronic-chemical-sensor-based-on-a-amino-enone-linked-triazine-containing-2d-covalent-organic-framework]

Fully-aromatic, two-dimensional covalent organic frameworks (2D COFs) are hailed as candidates for electronic and optical devices, yet to-date few applications emerged that make genuine use of their rational, predictive design principles and permanent pore structure. Here, we present a 2D COF made up of chemoresistant β-amino enone bridges and Lewis-basic triazine moieties that exhibits a dramatic real-time response in the visible spectrum and an increase in bulk conductivity by two orders of magnitude to a chemical trigger - corrosive HCl vapours. The optical and electronic response is fully reversible using a chemical switch (NH<sub>3</sub> vapours) or physical triggers (temperature or vacuum). These findings demonstrate a useful application of fully-aromatic 2D COFs as real-time responsive chemosensors and switches.
DOI: 10.5281/zenodo.2634565
title: Real-time optical and electronic sensing with a β-amino enone linked, triazine-containing 2D covalent organic framework

description: [This repository contains the raw and source data for the manuscript "<strong>Real-time optical and electronic sensing with a β-amino enone linked, triazine-containing 2D covalent organic framework</strong>".]

Fully-aromatic, two-dimensional covalent organic frameworks (2D COFs) are hailed as candidates for electronic and optical devices, yet to-date few applications emerged that make genuine use of their rational, predictive design principles and permanent pore structure. Here, we present a 2D COF made up of chemoresistant β-amino enone bridges and Lewis-basic triazine moieties that exhibits a dramatic real-time response in the visible spectrum and an increase in bulk conductivity by two orders of magnitude to a chemical trigger - corrosive HCl vapours. The optical and electronic response is fully reversible using a chemical switch (NH<sub>3</sub> vapours) or physical triggers (temperature or vacuum). These findings demonstrate a useful application of fully-aromatic 2D COFs as real-time responsive chemosensors and switches.
DOI: 10.17632/fyc69tr6p9.1
title: MATLAB code for XRF Spectral Analysis

description: XRF spectral analysis: element identification and peak quantification. Matlab code allowing to manually or automatically identify elements and quantify peaks from XRF spectra. Run "master.m" to start the spectral analysis. An option window will appear, allowing to perform a manual or automatic analysis of one or multiple XRF spectra (read in as .txt files). An option is available to automatically generate Excel sheets with the analysis results.
DOI: 10.5063/f189144v
title: Commercial Fisheries Entry Commision CFEC Public Permit Holders by Community of Residence 1975-2016

description: The Commercial Fisheries Entry Commision (CFEC) is an independent, autonomous agency of the State of Alaska which regulates entry into Alaska's commercial fisheries. The CFEC is committed to promoting conservation and sustained-yield management of Alaska's unique fishery resources and boosting economic stability among fishermen and their dependents. To ensure effective management of commercial fisheries, all vessels used for commercial fishing or related activities must be licensed by the CFEC. This includes fishing vessels, tenders, packers, processors, transporter vessels, and seine skiffs. The CFEC is responsible for leasing all commercial fishing permits including permits for limited-entry fisheries. Limited-entry fisheries include all state salmon fisheries, most herring fisheries, and various other fisheries. This dataset represents the number of salmon fishery permits that were renewed - specifically, number of permit holders by community of residence. This dataset includes all permits, limited entry and interim, for Alaska residents. Non-residents that renewed their permit with an out-of-state address are not included. The source of this permit information is various forms collected by CFEC including permit application, transfer requests, and address change forms. This dataset also includes a set of maps showing the percent change in permits from the number of initial issues. These maps were created using the included R markdown document in conjunction with code from Jeanette Clark, Rachel Carlson, and Jared Kibele. General mapping functions for data associated with the State of Alaska's Salmon and People (SASAP) project, 2019. Knowledge Network for Biocomplexity. doi:10.5063/F1MP51JD. Also included are a set of figures displaying time-series information of permit holdings at a regional level.
DOI: 10.5281/zenodo.2611151
title: Data from: The more you get, the more you give: Positive cascading effects shape the evolutionary potential of prenatal maternal investment

description: Data from 'The more you get, the more you give: Positive cascading effects shape the evolutionary potential of prenatal maternal investment'

 

Description of variables in CME_dat.csv

egg.mass - mean offspring egg mass (grams)

maternal.line - selection line of mother (H- high investment, L - low investment)

paternal.line - selection lines of father (H- high investment, L - low investment)

replicate - selection line replicate

animal - animal id (links with data from Pick et al. 2016 on dryad)

mother - mother id

father - father id

maternal.egg.mass - mean maternal egg mass (grams)
DOI: 10.5281/zenodo.2611152
title: Data from: The more you get, the more you give: Positive cascading effects shape the evolutionary potential of prenatal maternal investment

description: Data from 'The more you get, the more you give: Positive cascading effects shape the evolutionary potential of prenatal maternal investment'

 

Description of variables in CME_dat.csv

egg.mass - mean offspring egg mass (grams)

maternal.line - selection line of mother (H- high investment, L - low investment)

paternal.line - selection lines of father (H- high investment, L - low investment)

replicate - selection line replicate

animal - animal id (links with data from Pick et al. 2016 on dryad)

mother - mother id

father - father id

maternal.egg.mass - mean maternal egg mass (grams)
DOI: 10.14272/cbnssmktuidblq-qurgraslsa-n.1
title: C20H14N2O4
title: InChI=1S/C20H14N2O4/c23-19(24)14-8-6-13(7-9-14)17-11-10-15(20(25)26)12-18(17)22-21-16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b22-21+

description: This dataset contains experimental data from a sample (InChI=1S/C20H14N2O4/c23-19(24)14-8-6-13(7-9-14)17-11-10-15(20(25)26)12-18(17)22-21-16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b22-21+).
      The datasets from the following experiments are available:
      
      1H NMR
      
      13C NMR
      
      Mass
      
      IR
      
      Others
      
      EA
DOI: 10.14272/cbnssmktuidblq-qurgraslsa-n/13cnmr
title: 13C NMR (, InChI=1S/C20H14N2O4/c23-19(24)14-8-6-13(7-9-14)17-11-10-15(20(25)26)12-18(17)22-21-16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b22-21+)

description: dataset for 13C NMR
      
      13C NMR (125 MHz, DMSO-d6, ppm) δ = 167.1 (1C, CO2H), 166.6 (1C, CO2H), 152.1 (1C, Cq-N=N), 148.6 (1C, Cq-N=N), 143.3 (1C, Cq), 141.6 (1C, Cq), 131.9 (CH), 131.5 (CH), 131.4 (CH), 131.3 (1C, Cq), 130.9 (2C, CH), 130.2 (1C, Cq), 129.6 (2C, CH), 128.8 (2C, CH), 123.0 (2C, CH), 116.6 (1C, CH).
DOI: 10.14272/cbnssmktuidblq-qurgraslsa-n/1hnmr
title: 1H NMR (, InChI=1S/C20H14N2O4/c23-19(24)14-8-6-13(7-9-14)17-11-10-15(20(25)26)12-18(17)22-21-16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b22-21+)

description: dataset for 1H NMR
      
      1H NMR (500 MHz, DMSO-d6, ppm) δ = 13.21 (bs, 2H, CO2H), 8.27 (d, 1H, J = 1.5 Hz, CH), 8.20 (dd, 1H, J = 8.0 Hz, 1.5 Hz, CH), 8.06–8.04 (m, 2H, CH), 7.83 (d, 1H, J = 8.0 Hz, CH), 7.79–7.77 (m, 2H, CH), 7.66–7.64 (m, 2H, CH), 7.60–7.58 (m, 3H, CH).
DOI: 10.14272/cbnssmktuidblq-qurgraslsa-n/ea
title: EA (, InChI=1S/C20H14N2O4/c23-19(24)14-8-6-13(7-9-14)17-11-10-15(20(25)26)12-18(17)22-21-16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b22-21+)

description: dataset for EA
      
      EA (C20H14N2O4): Calcd. C 69.36; H 4.07; N 8.09. Found. C 65.38; H 3.93; N 7.37.
DOI: 10.14272/cbnssmktuidblq-qurgraslsa-n/ir
title: IR (, InChI=1S/C20H14N2O4/c23-19(24)14-8-6-13(7-9-14)17-11-10-15(20(25)26)12-18(17)22-21-16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b22-21+)

description: dataset for IR
      
      IR (ATR, ṽ) = 1679, 1603, 1553, 1421, 1291, 1238, 1189, 1127, 1004 cm–1.
DOI: 10.14272/cbnssmktuidblq-qurgraslsa-n/mass
title: Mass (, InChI=1S/C20H14N2O4/c23-19(24)14-8-6-13(7-9-14)17-11-10-15(20(25)26)12-18(17)22-21-16-4-2-1-3-5-16/h1-12H,(H,23,24)(H,25,26)/b22-21+)

description: dataset for Mass
      
      EI (m/z, 70 eV, 220 °C): 346 (15) [M]+, 301 (8) [M–CO2H]+, 300 (14) [M–H–CO2H]+. HRMS–EI (m/z): [M]+ Calcd. for C20H14N2O4, 346.0954; Found, 346.0952.