cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6073/pasta/6aba85eed9ebd96cc5c45583884f5720
title: Stream Temperature - Jennifer Branch at Ontario (JBON)  Water  year 2007-2008
DOI: 10.6073/pasta/7d2184c1310e5e8eda679a0d89e32130
title: Stream Temperature - Jennifer Branch at Northwind (JBNW)  Water  year 2007-2008
DOI: 10.6073/pasta/bcabed832ffc33b5c73ff1709c1c6159
title: Stream Temperature - Gwynns Falls at Gwynnbrook (GFGB)  Water  year 2007-2008
DOI: 10.6073/pasta/c2ec6ec57ca2d0b0bfb0ccd75962aae5
title: Stream Temperature - Gwynns Falls at Carroll Park (GFCP)  Water  year 2007-2008
DOI: 10.6073/pasta/d6eb4182b4e92de46c7c0339d7e37564
title: Stream Temperature - (DRKR)  Water  year 2007-2008
DOI: 10.6073/pasta/04b0f095fcf379a7262f8615a826d496
title: Stream Temperature - Jennifer Branch at Ontario Headwaters (JBONHW)  Water  year 2007-2008
DOI: 10.6073/pasta/0bcd2d465430d74896cfa1963673bf19
title: Stream Temperature - McDonogh (MCDN)  Water  year 2007-2008
DOI: 10.6073/pasta/1ed4858c58cac5a602137ea23110eafa
title: Stream Temperature - Pond Branch (POBR)  Water  year 2007-2008
DOI: 10.6073/pasta/2ad8d6388e5ca242c7492b2c14b25f9c
title: Stream Temperature - Metfield (MDCH)  Water  year 2007-2008
DOI: 10.6073/pasta/654e03d9d731b04ec3fbdbd3e4bcb335
title: Stream Temperature - Placid Woods (PDWD)  Water  year 2007-2008
DOI: 10.6073/pasta/73fcea036a9a29b2e7a07fef4284c06b
title: Stream Temperature - Overlook Park (OKPK)  Water  year 2007-2008
DOI: 10.6073/pasta/7b5609c9a777073a12121bc880d13108
title: Stream Temperature - Rognel Heights (RGHT)  Water  year 2007-2008
DOI: 10.6073/pasta/a6a6162bfb421e45c557be3385a6c4d5
title: Stream Temperature - (PDML)  Water  year 2007-2008
DOI: 10.6073/pasta/da3339bb7ef2896630495b0a61fcf078
title: Stream Temperature - Parkland (PKLD)  Water  year 2007-2008
DOI: 10.6073/pasta/8729ffa9893a81f997482343f3ac266e
title: Stream Temperature - Reservoir Hill (RRHL)  Water  year 2007-2008
DOI: 10.6073/pasta/d99e12d95e153bfa77a864f8b0ab5081
title: Stream Temperature - (SCLB)  Water  year 2007-2008
DOI: 10.6073/pasta/244910f92e36e7fe6d2c01e0c1d1696f
title: Rio Mameyes diatoms in the Rio Mameyes from 1998 to 2001
DOI: 10.6073/pasta/ab25ce75e249294e031656b912c80f0f
title: Effects of a tropical stream poisoning: do they reflect effects of small-scale experiments?
DOI: 10.6073/pasta/bee1f450e0ced4d31f0d5bbb84cad935
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 8 meteorological station: 1-hour summary data: 2017 - ongoing

description: This data package contains hourly air temperature, relative humidity, wind speed, wind direction, and precipitation summary data from Jornada Basin LTER Cross Scale Interactions Study (CSIS) Block-8 met station. Air temperature, relative humidity, wind speed, wind direction, and precipitation are measured and calculated at an automated meteorological station connected to a 900 MHz spread spectrum wireless network. Wind speed is measured at 37cm, 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Measurements are aggregated at intervals of 5, 30, 60 minutes and daily, with precipitation additionally provided with 1 second aggregation during precipitation events. Precipitation is not measured at Block 1 and Block 12 because of proximity to Block 2 and Block 13, respectively . This is an ONGOING dataset.
DOI: 10.5281/zenodo.6627084
title: Simulator Artifact

description: RaaC Artifact
DOI: 10.5281/zenodo.6627083
title: Simulator Artifact

description: RaaC Artifact
DOI: 10.5525/gla.researchdata.1283
title: Non-invasive Localization using Software-Defined Radios

description: The dataset is about locating human activities in an office environment. Radio frequency (RF) sensing was employed in particular to collect unique channel fluctuations induced by multiple activities. The data collection hardware consists of two USRP devices that communicate with each other when activity takes place inside their coverage region. The USRPs are based on the National Instrument (NI) X310/X300 models, which are connected to two PCs by 1G Ethernet connections and have extended bandwidth daughterboard slots that cover DC–6 GHz and up to 120 MHz of baseband bandwidth. The two PCs were equipped with Intel(R) Core (TM) i7 7700.360 GHz processors, 16 GB RAM, and the Ubuntu 16.04 virtual operating system. For wireless communication, the USRPs were equipped with VERT2450 omnidirectional antennae. One participant performed in a room environment for the duration of the experiment, collecting 4300 samples for seven different activities in three zones and locations.
DOI: 10.5281/zenodo.4697810
title: Principles of Jurisprudence [IO Islamic 1626] Glosses on part of Ījī's Commentary

description: <strong>Principles of Jurisprudence.</strong> <strong>This manuscript is now IO Islamic 1626 </strong><strong>in the India Office collections.</strong> <strong>[metadata:</strong> <strong>Otto Loth, </strong><strong><em>A Catalogue of the Arabic Manuscripts in the Library of the India Office</em>, (volume 1), no. 310 here with further notations and hyperlinks]</strong>. 310. 1626. Size 9 in. by 4<sup>1/4</sup> in.; foll. 181. From twenty to twenty-three lines in a page. Glosses on part of <em>îjî's</em> Commentary, ascribed to MÎRZÂ JÂN (Ḥabîb Allah Shîrâzî, d. A.H. 994). Cf. Ḥ. Kh. vi. 172. These glosses extend from مبادی اللغة to السُنّة (=foll. 12-41 of no. 299). Beginning: قوله من لطف الله تعالی احداث الموضوعات اللغویة هذا کلام یدل بظاهره علی ان الاصوات و الحروف مخلوقة الخ The last gloss begins: قوله و لایخفی ان هذا and the author concludes with the words: هذا آخر ما تیسّر لنا فی شرح السنة و الحمد لله الموفق للخیر Taftâzânî’s commentary is frequently quoted. Legibly written in different Nasta’liḳ hands. [Johnson.]
DOI: 10.5281/zenodo.4697809
title: Principles of Jurisprudence [IO Islamic 1626] Glosses on part of Ījī's Commentary

description: <strong>Principles of Jurisprudence.</strong> <strong>This manuscript is now IO Islamic 1626 </strong><strong>in the India Office collections.</strong> <strong>[metadata:</strong> <strong>Otto Loth, </strong><strong><em>A Catalogue of the Arabic Manuscripts in the Library of the India Office</em>, (volume 1), no. 310 here with further notations and hyperlinks]</strong>. 310. 1626. Size 9 in. by 4<sup>1/4</sup> in.; foll. 181. From twenty to twenty-three lines in a page. Glosses on part of <em>îjî's</em> Commentary, ascribed to MÎRZÂ JÂN (Ḥabîb Allah Shîrâzî, d. A.H. 994). Cf. Ḥ. Kh. vi. 172. These glosses extend from مبادی اللغة to السُنّة (=foll. 12-41 of no. 299). Beginning: قوله من لطف الله تعالی احداث الموضوعات اللغویة هذا کلام یدل بظاهره علی ان الاصوات و الحروف مخلوقة الخ The last gloss begins: قوله و لایخفی ان هذا and the author concludes with the words: هذا آخر ما تیسّر لنا فی شرح السنة و الحمد لله الموفق للخیر Taftâzânî’s commentary is frequently quoted. Legibly written in different Nasta’liḳ hands. [Johnson.]
DOI: 10.6084/m9.figshare.20036252
title: Force vs degrees.xlsx

description: Test results for the graphs where force is plotted against against degrees.
DOI: 10.6084/m9.figshare.20036273
title: Test results one Arduino

description: The test results from one Arduino. This includes the Bluetooth, repeatibility and IMU validity tests.
DOI: 10.6084/m9.figshare.20036273.v1
title: Test results one Arduino

description: The test results from one Arduino. This includes the Bluetooth, repeatibility and IMU validity tests.
DOI: 10.6084/m9.figshare.20036282
title: Test results two Arduino's

description: The test results from two Arduino's. This includes the Bluetooth, repeatibility and IMU validity tests.
DOI: 10.6084/m9.figshare.20036282.v1
title: Test results two Arduino's

description: The test results from two Arduino's. This includes the Bluetooth, repeatibility and IMU validity tests.
DOI: 10.5281/zenodo.6381103
title: GSDGM files generated by human connectome project s500 rs-fMRI (CONN atlas 132 ROIs) data

description: Group Surrogate Data Generating Model (GSDGM) dataset generated by human connectome project s500 rs-fMRI (CONN atlas 132 ROIs) data.
DOI: 10.5281/zenodo.6381102
title: GSDGM files generated by human connectome project s500 rs-fMRI (CONN atlas 132 ROIs) data

description: Group Surrogate Data Generating Model (GSDGM) dataset generated by human connectome project s500 rs-fMRI (CONN atlas 132 ROIs) data.
DOI: 10.14272/qtlfbdinswazho-uhfffaoysa-m/chmo0002337
title: electrospray ionisation quadrupole detection (ESI Q Trap) ()
title: InChI=1S/C5H8O2S.Li/c6-8(7)5-1-4(2-5)3-5;/h4H,1-3H2,(H,6,7);/q;+1/p-1

description: dataset for electrospray ionisation quadrupole detection (ESI Q Trap) MS (ESI), m/z (%): 171 (17) [M+CH3OH+H]+, 139.0397 (100) [M+H]+.HRMS (ESI+, [M+H]+, [C5H8LiO2S]+): calcd 139.0400, found 139.0397.
DOI: 10.14272/qtlfbdinswazho-uhfffaoysa-m/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C5H8O2S.Li/c6-8(7)5-1-4(2-5)3-5;/h4H,1-3H2,(H,6,7);/q;+1/p-1

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Deuterium oxide, ppm) δ = 57.3 (Cq), 47.2 (-, 3C), 25.9 (+). Impurities: 50.5 (unknown).
DOI: 10.14272/qtlfbdinswazho-uhfffaoysa-m.1
title: Lithium bicyclo[1.1.1]pentylsulfinate
title: InChI=1S/C5H8O2S.Li/c6-8(7)5-1-4(2-5)3-5;/h4H,1-3H2,(H,6,7);/q;+1/p-1

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C5H8O2S.Li/c6-8(7)5-1-4(2-5)3-5;/h4H,1-3H2,(H,6,7);/q;+1/p-1, and canonical SMILES descriptor[cheminf_000007]: [O-]S(=O)C12CC(C1)C2.[Li+], and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-28893 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0002337 | electrospray ionisation quadrupole detection (ESI Q Trap) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000630 | infrared absorption spectroscopy (IR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/qtlfbdinswazho-uhfffaoysa-m/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C5H8O2S.Li/c6-8(7)5-1-4(2-5)3-5;/h4H,1-3H2,(H,6,7);/q;+1/p-1

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2980, 2949, 2907, 2870, 1579, 1562, 1448, 1205, 1190, 984, 943, 938, 901, 866, 663, 594, 548, 527, 476, 455, 402 cm–1.
DOI: 10.14272/xxxlxgikcrqfea-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C14H18OS/c1-9-4-10(2)13(11(3)5-9)16(15)14-6-12(7-14)8-14/h4-5,12H,6-8H2,1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Methanol-d4 [3.31 ppm], ppm) δ = 6.95 (s, 2H), 2.84 (s, 1H), 2.46 (br, 6H), 2.30 (s, 3H), 2.10–2.08 (m, 3H), 2.05–2.02 (m, 3H).
DOI: 10.14272/xxxlxgikcrqfea-uhfffaoysa-n/chmo0001146
title: 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) ()
title: InChI=1S/C14H18OS/c1-9-4-10(2)13(11(3)5-9)16(15)14-6-12(7-14)8-14/h4-5,12H,6-8H2,1-3H3

description: dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)
DOI: 10.14272/xxxlxgikcrqfea-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C14H18OS/c1-9-4-10(2)13(11(3)5-9)16(15)14-6-12(7-14)8-14/h4-5,12H,6-8H2,1-3H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 40 °C), m/z (%): 234 (2) [M]+, 193 (5) [C11H13OS]+, 168 (15) [C9H11OS+H]+, 120 (12) [C9H11+H]+, 119 (12) [C9H11]+, 115 (2) [C5H7OS]+, 100 (13) [C5H7S+H]+, 67 (7) [C5H7]+.HRMS–EI (m/z): [C14H18OS]+ calcd for 234.1078; found 234.1078.
DOI: 10.14272/xxxlxgikcrqfea-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C14H18OS/c1-9-4-10(2)13(11(3)5-9)16(15)14-6-12(7-14)8-14/h4-5,12H,6-8H2,1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2987, 2965, 2911, 2876, 2853, 1599, 1567, 1504, 1445, 1404, 1380, 1290, 1200, 1128, 1108, 1061, 1040, 1024, 955, 942, 931, 914, 884, 866, 775, 714, 615, 567, 544, 510, 479, 425, 390, 377 cm–1.
DOI: 10.14272/xxxlxgikcrqfea-uhfffaoysa-n.1
title: Bicyclo[1.1.1]pentyl mesityl sulfoxide
title: InChI=1S/C14H18OS/c1-9-4-10(2)13(11(3)5-9)16(15)14-6-12(7-14)8-14/h4-5,12H,6-8H2,1-3H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C14H18OS/c1-9-4-10(2)13(11(3)5-9)16(15)14-6-12(7-14)8-14/h4-5,12H,6-8H2,1-3H3, and canonical SMILES descriptor[cheminf_000007]: Cc1cc(C)cc(c1S(=O)C12CC(C1)C2)C, and by the IUPAC name[cheminf_000107]: . The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-28914 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 70.0 (°C) Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/xxxlxgikcrqfea-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C14H18OS/c1-9-4-10(2)13(11(3)5-9)16(15)14-6-12(7-14)8-14/h4-5,12H,6-8H2,1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Methanol-d4 [49.1 ppm], ppm) δ = 142.9 (+, 2C), 132.8 (Cq), 55.4 (Cq), 51.8 (-, 3C), 29.2 (+), 21.2 (+), 19.9 (+, 2C). Due to peak broadening (3C) are mising.
DOI: 10.14272/axgwehwigicnlx-uhfffaoysa-n.2
title: 1-(Phenylthio)-bicyclo[1.1.1]pentane
title: InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2, and canonical SMILES descriptor[cheminf_000007]: c1ccc(cc1)SC12CC(C1)C2, and by the IUPAC name[cheminf_000107]: 1-phenylsulfanylbicyclo[1.1.1]pentane. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-28960 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/axgwehwigicnlx-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-phenylsulfanylbicyclo[1.1.1]pentane)
title: InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.47–7.44 (m, 2H), 7.34–7.28 (m, 3H), 2.73 (s, 1H), 1.96 (s, 6H). Impurities: 1.55 (water), 0.08 (grease). In accordance with DOI: https://dx.doi.org/10.14272/AXGWEHWIGICNLX-UHFFFAOYSA-N.1
DOI: 10.14272/dojjdmpmmvyuin-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene)
title: InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,6-10H,4-5H2,1H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3046, 2895, 2871, 2833, 1635, 1592, 1493, 1442, 1415, 1361, 1340, 1309, 1285, 1179, 1145, 1091, 1050, 1020, 1007, 996, 970, 949, 942, 929, 878, 844, 813, 768, 725, 711, 690, 667, 639, 567, 538, 494, 419 cm–1.
DOI: 10.14272/dojjdmpmmvyuin-uhfffaoysa-n.1
title: 1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene
title: InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,6-10H,4-5H2,1H3

description: This is a physical chemical entity[CHEBI_24431] associated with a molecule[CHEBI_25367]. The molecule[CHEBI_25367] can be described by the following structural desciptors[cheminf_000085]: InChI descriptor[cheminf_000113]: InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,6-10H,4-5H2,1H3, and canonical SMILES descriptor[cheminf_000007]: Cc1ccc(cc1)S(=O)(=O)C1=CCC=CC1, and by the IUPAC name[cheminf_000107]: 1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene. The physical chemical entity[CHEBI_24431] has a component solvent[CHEBI_46787] which is described by the canonical SMILES descriptor[cheminf_000007]: The physical chemical entity[CHEBI_24431] has the following Sample ID as registered in the research data repository chemotion (www.chemotion-repository.net, https://doi.org/10.25504/FAIRsharing.iagXcR): CRS-29193 The physical chemical entity[CHEBI_24431] can be described by the physical descriptors [CHEMINF_000025]: Melting point descriptor[CHEMINF_000256]: 184.2 (°C) Boiling point descriptor[CHEMINF_000257]: Refractive index descriptor[CHEMINF_000253]: The physical chemical entity[CHEBI_24431] can be further described by the following assays[OBI:0000070][CHMO:0001133]: CHMO:0000593 | 1H nuclear magnetic resonance spectroscopy (1H NMR) CHMO:0000595 | 13C nuclear magnetic resonance spectroscopy (13C NMR) CHMO:0001146 | 1H--13C heteronuclear single quantum coherence (1H-13C HSQC) CHMO:0000630 | infrared absorption spectroscopy (IR) CHMO:0000470 | mass spectrometry (MS) The physical chemical entity[CHEBI_24431] was deposited to the Molecule Archive of the Karlsruhe Insitute of Technology (KIT) with the following Sample ID: Used ontologies: CHEBI - Chemical Entities of Biological Interest CHEMINF - chemical information ontology (information entities about chemical entities) CHMO - Chemical Methods Ontology OBI - Ontology for Biomedical Investigations
DOI: 10.14272/dojjdmpmmvyuin-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene)
title: InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,6-10H,4-5H2,1H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 144.2 (Cq), 137.7 (Cq), 135.9 (Cq), 134.6 (+), 129.7 (+, 2C), 128.1 (+, 2C), 122.8 (+), 122.2 (+), 27.0 (-), 23.7 (-), 21.6 (+).
DOI: 10.14272/dojjdmpmmvyuin-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene)
title: InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,6-10H,4-5H2,1H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 30 °C), m/z (%): 234 (14) [M]+, 233 (18), 231 (15), 186 (14), 181 (49) [M-C4H6+H]+, 180 (10) [M-C4H6]+, 169 (11), 155 (15), 139 (20), 131 (50), 119 (17), 100 (11), 91 (45), 77 (15) [C6H4+H]+, 69 (100), 65 (17).HRMS–EI (m/z): [C13H14O232S]+ calcd for 234.0709; found 234.0711.
DOI: 10.14272/dojjdmpmmvyuin-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (1-cyclohexa-1,4-dien-1-ylsulfonyl-4-methylbenzene)
title: InChI=1S/C13H14O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-3,6-10H,4-5H2,1H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, Chloroform-d [7.27 ppm], ppm) δ = 7.76 (d, J = 8.3 Hz, 2H), 7.33 (d, J = 8.0 Hz, 2H), 7.02 (qd, J = 1.8 Hz, J = 3.4 Hz, 1H), 5.72–5.62 (m, 2H), 2.97–2.91 (m, 2H), 2.83–2.78 (m, 2H), 2.44 (s, 3H). Impurities: 1.61 (water), 1.26 (grease), 0.89–0.86 (grease), 0.08 (grease).
DOI: 10.15156/bio/sh0886412.10fu
title: SH0886412.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.