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3-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid

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3-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID E3Xx6v5qxyt
InChI InChI=1S/C20H25NO5S/c1-26-20(25)16-12-5-3-2-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h10-11,14-15H,2-9H2,1H3,(H,21,22)(H,23,24)/t10-,11+,14+,15+/m1/s1
InChIKey SRWNKGYXOWZYBF-PKIAMQTDSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HbUgB49gtDS
Name 3-({[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)bicyclo[2.2.1]heptane-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/C20H25NO5S/c1-26-20(25)16-12-5-3-2-4-6-13(12)27-18(16)21-17(22)14-10-7-8-11(9-10)15(14)19(23)24/h10-11,14-15H,2-9H2,1H3,(H,21,22)(H,23,24)/t10-,11+,14+,15+/m1/s1
InChIKey SRWNKGYXOWZYBF-PKIAMQTDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17956
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/9090976; UBI_ID: UBI-017959
Temperature 318 °C