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3-({[3-(methoxycarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

View entire compound with spectra: 1 NMR

3-({[3-(methoxycarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 2P6t4Tj5AqS
InChI InChI=1S/C23H31NO6S/c1-5-23(2,3)11-6-7-12-15(10-11)31-20(16(12)22(28)29-4)24-19(25)17-13-8-9-14(30-13)18(17)21(26)27/h11,13-14,17-18H,5-10H2,1-4H3,(H,24,25)(H,26,27)/t11?,13-,14+,17+,18+/m0/s1
InChIKey DIMFTUHFTPGNFD-KTPDRLLWSA-N
Mol Weight 449.56 g/mol
Molecular Formula C23H31NO6S
Exact Mass 449.187209 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2WCXN4eCoKM
Name 3-({[3-(methoxycarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-7-oxabicyclo[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/C23H31NO6S/c1-5-23(2,3)11-6-7-12-15(10-11)31-20(16(12)22(28)29-4)24-19(25)17-13-8-9-14(30-13)18(17)21(26)27/h11,13-14,17-18H,5-10H2,1-4H3,(H,24,25)(H,26,27)/t11?,13-,14+,17+,18+/m0/s1
InChIKey DIMFTUHFTPGNFD-KTPDRLLWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20015
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/9156135; UBI_ID: UBI-020019
Temperature 318 °C