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

*Links on SpectraBase are not permalinks.

2-({4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

View entire compound with spectra: 1 NMR

2-({4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SpectraBase Compound ID ExiHIF0M4h1
InChI InChI=1S/C22H24N2O6S2/c25-15(23-19-17(21(27)28)11-5-1-3-7-13(11)31-19)9-10-16(26)24-20-18(22(29)30)12-6-2-4-8-14(12)32-20/h1-10H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKey RABYUUSRLOJKDL-UHFFFAOYSA-N
Mol Weight 476.56 g/mol
Molecular Formula C22H24N2O6S2
Exact Mass 476.107579 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 2BBk2Wfwc90
Name 2-({4-[(3-carboxy-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-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/C22H24N2O6S2/c25-15(23-19-17(21(27)28)11-5-1-3-7-13(11)31-19)9-10-16(26)24-20-18(22(29)30)12-6-2-4-8-14(12)32-20/h1-10H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChIKey RABYUUSRLOJKDL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7765
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: 127653; Labnumber: RRKR1-045; VK_ID: VK-007769
Temperature 318 °C