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2,4-thiophenedicarboxylic acid, 3-methyl-5-[[(2-phenylcyclopropyl)carbonyl]amino]-, diethyl ester
SpectraBase Compound ID JJg88vxrpAO
InChI InChI=1S/C21H23NO5S/c1-4-26-20(24)16-12(3)17(21(25)27-5-2)28-19(16)22-18(23)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11H2,1-3H3,(H,22,23)
InChIKey YYFRFBQEOYUNDM-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C21H23NO5S
Exact Mass 401.129694 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K1MZ2GgyB48
Name 2,4-thiophenedicarboxylic acid, 3-methyl-5-[[(2-phenylcyclopropyl)carbonyl]amino]-, diethyl 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 401.129694014 u
Formula C21H23NO5S
InChI InChI=1S/C21H23NO5S/c1-4-26-20(24)16-12(3)17(21(25)27-5-2)28-19(16)22-18(23)15-11-14(15)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11H2,1-3H3,(H,22,23)
InChIKey YYFRFBQEOYUNDM-UHFFFAOYSA-N
Molecular Weight 401.477 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13996
Solvent DMSO-d6
Source Vendor ID: ZI/10021092; Lab Info: PNA; Lab Number: PNA-1991553