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2-[(3-phenylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
SpectraBase Compound ID FeJr1SuNSBV
InChI InChI=1S/C18H19NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7H,4-5,8-11H2,(H,19,20)(H,21,22)
InChIKey KHACIRHRQWTWII-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EQXEJnd4PFb
Name 2-[(3-phenylpropanoyl)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/C18H19NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7H,4-5,8-11H2,(H,19,20)(H,21,22)
InChIKey KHACIRHRQWTWII-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7764
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: 127652; Labnumber: RRKR1-044; VK_ID: VK-007768
Temperature 318 °C