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benzoic acid, 3-[5-[(Z)-(3-oxobenzo[b]thien-2(3H)-ylidene)methyl]-2-furanyl]-, methyl ester
SpectraBase Compound ID DYpOp7iFiM3
InChI InChI=1S/C21H14O4S/c1-24-21(23)14-6-4-5-13(11-14)17-10-9-15(25-17)12-19-20(22)16-7-2-3-8-18(16)26-19/h2-12H,1H3/b19-12-
InChIKey XOXUDDMFGQEKSP-UNOMPAQXSA-N
Mol Weight 362.4 g/mol
Molecular Formula C21H14O4S
Exact Mass 362.06128 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jfkpq13buPv
Name benzoic acid, 3-[5-[(Z)-(3-oxobenzo[b]thien-2(3H)-ylidene)methyl]-2-furanyl]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.061280101 u
Formula C21H14O4S
InChI InChI=1S/C21H14O4S/c1-24-21(23)14-6-4-5-13(11-14)17-10-9-15(25-17)12-19-20(22)16-7-2-3-8-18(16)26-19/h2-12H,1H3/b19-12-
InChIKey XOXUDDMFGQEKSP-UNOMPAQXSA-N
Molecular Weight 362.399 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15109
Solvent DMSO-d6
Source Vendor ID: NMR/10311104; Lab Info: SAD; Lab Number: SAD-002593