For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-({[3-(sec-butoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

View entire compound with spectra: 1 NMR

3-({[3-(sec-butoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID Gm9JDXvSxZb
InChI InChI=1S/C22H27NO5S/c1-3-11(2)28-22(27)18-14-6-4-5-7-15(14)29-20(18)23-19(24)16-12-8-9-13(10-12)17(16)21(25)26/h8-9,11-13,16-17H,3-7,10H2,1-2H3,(H,23,24)(H,25,26)/t11?,12-,13+,16-,17-/m0/s1
InChIKey RYRLLQGGPVZURO-MCGYIYAPSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HM4UujFpDqY
Name 3-({[3-(sec-butoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-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/C22H27NO5S/c1-3-11(2)28-22(27)18-14-6-4-5-7-15(14)29-20(18)23-19(24)16-12-8-9-13(10-12)17(16)21(25)26/h8-9,11-13,16-17H,3-7,10H2,1-2H3,(H,23,24)(H,25,26)/t11?,12-,13+,16-,17-/m0/s1
InChIKey RYRLLQGGPVZURO-MCGYIYAPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29733
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: 1129228; SBI_ID: SBI-029737
Temperature 318 °C