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3-{[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID HIwUaTULzLj
InChI InChI=1S/C19H20N2O3S/c20-9-13-12-4-2-1-3-5-14(12)25-18(13)21-17(22)15-10-6-7-11(8-10)16(15)19(23)24/h6-7,10-11,15-16H,1-5,8H2,(H,21,22)(H,23,24)
InChIKey VOSIPQAIPKUIDN-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C19H20N2O3S
Exact Mass 356.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K3JvjvzZnal
Name 3-{[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-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/C19H20N2O3S/c20-9-13-12-4-2-1-3-5-14(12)25-18(13)21-17(22)15-10-6-7-11(8-10)16(15)19(23)24/h6-7,10-11,15-16H,1-5,8H2,(H,21,22)(H,23,24)
InChIKey VOSIPQAIPKUIDN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6366
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/8181891; UBI_ID: UBI-006368
Temperature 318 °C