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3-thiophenecarboxylic acid, 2-[[[4-(1,1-dimethylethyl)phenoxy]acetyl]amino]-4,5-dimethyl-, 1-methylethyl ester
SpectraBase Compound ID 55awC92FqCJ
InChI InChI=1S/C22H29NO4S/c1-13(2)27-21(25)19-14(3)15(4)28-20(19)23-18(24)12-26-17-10-8-16(9-11-17)22(5,6)7/h8-11,13H,12H2,1-7H3,(H,23,24)
InChIKey FFBPOLCIVKLJLC-UHFFFAOYSA-N
Mol Weight 403.54 g/mol
Molecular Formula C22H29NO4S
Exact Mass 403.18173 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JyTGYIxxQm5
Name 3-thiophenecarboxylic acid, 2-[[[4-(1,1-dimethylethyl)phenoxy]acetyl]amino]-4,5-dimethyl-, 1-methylethyl 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 403.181729588 u
Formula C22H29NO4S
InChI InChI=1S/C22H29NO4S/c1-13(2)27-21(25)19-14(3)15(4)28-20(19)23-18(24)12-26-17-10-8-16(9-11-17)22(5,6)7/h8-11,13H,12H2,1-7H3,(H,23,24)
InChIKey FFBPOLCIVKLJLC-UHFFFAOYSA-N
Molecular Weight 403.537 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5360
Solvent DMSO-d6
Source Vendor ID: NMR/9253361; Lab Info: PNA; Lab Number: PNA-NA00416