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3-({[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID BLTE6uv718s
InChI InChI=1S/C19H24N2O5S/c1-2-8-3-4-9-12(7-8)27-18(13(9)16(20)22)21-17(23)14-10-5-6-11(26-10)15(14)19(24)25/h8,10-11,14-15H,2-7H2,1H3,(H2,20,22)(H,21,23)(H,24,25)/t8?,10-,11+,14+,15+/m0/s1
InChIKey UKPBLLZEXQCOKU-WJZMPKEPSA-N
Mol Weight 392.47 g/mol
Molecular Formula C19H24N2O5S
Exact Mass 392.140593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DbRvOSCWVx5
Name 3-({[3-(aminocarbonyl)-6-ethyl-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/C19H24N2O5S/c1-2-8-3-4-9-12(7-8)27-18(13(9)16(20)22)21-17(23)14-10-5-6-11(26-10)15(14)19(24)25/h8,10-11,14-15H,2-7H2,1H3,(H2,20,22)(H,21,23)(H,24,25)/t8?,10-,11+,14+,15+/m0/s1
InChIKey UKPBLLZEXQCOKU-WJZMPKEPSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19650
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/9146941; UBI_ID: UBI-019654
Temperature 318 °C