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2-pyrrolidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, (1R)-3-acetyl-4-hydroxy-2-oxo-3-cyclohexen-1-yl ester, (2S)-

View entire compound with spectra: 1 NMR

2-pyrrolidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, (1R)-3-acetyl-4-hydroxy-2-oxo-3-cyclohexen-1-yl ester, (2S)-
SpectraBase Compound ID wlMYs3Ua48
InChI InChI=1S/C20H23NO7S/c1-12-5-7-14(8-6-12)29(26,27)21-11-3-4-15(21)20(25)28-17-10-9-16(23)18(13(2)22)19(17)24/h5-8,15,17,23H,3-4,9-11H2,1-2H3
InChIKey MFWXHIRJSODLJQ-UHFFFAOYSA-N
Mol Weight 421.46 g/mol
Molecular Formula C20H23NO7S
Exact Mass 421.119523 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4QOGnps53J6
Name 2-pyrrolidinecarboxylic acid, 1-[(4-methylphenyl)sulfonyl]-, (1R)-3-acetyl-4-hydroxy-2-oxo-3-cyclohexen-1-yl ester, (2S)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.119523252 u
Formula C20H23NO7S
InChI InChI=1S/C20H23NO7S/c1-12-5-7-14(8-6-12)29(26,27)21-11-3-4-15(21)20(25)28-17-10-9-16(23)18(13(2)22)19(17)24/h5-8,15,17,23H,3-4,9-11H2,1-2H3
InChIKey MFWXHIRJSODLJQ-UHFFFAOYSA-N
Molecular Weight 421.464 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10405
Solvent DMSO-d6
Source Vendor ID: NMR/9321911; Lab Info: ZAI; Lab Number: ZAI-VZ00002