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6-({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID BVDnJBDWV2h
InChI InChI=1S/C12H15N3O3S2/c1-2-19-12-15-14-11(20-12)13-9(16)7-5-3-4-6-8(7)10(17)18/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)(H,13,14,16)
InChIKey RFVBTVMRNXFBMX-UHFFFAOYSA-N
Mol Weight 313.39 g/mol
Molecular Formula C12H15N3O3S2
Exact Mass 313.055484 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GiFwdFaX19R
Name 6-({[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H15N3O3S2/c1-2-19-12-15-14-11(20-12)13-9(16)7-5-3-4-6-8(7)10(17)18/h3-4,7-8H,2,5-6H2,1H3,(H,17,18)(H,13,14,16)
InChIKey RFVBTVMRNXFBMX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7179
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/8193453; UBI_ID: UBI-007182
Temperature 318 °C