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L-Proline, 1-(2-mercaptobenzoyl)-
SpectraBase Compound ID 9VANE3B6gAw
InChI InChI=1S/C12H13NO3S/c14-11(8-4-1-2-6-10(8)17)13-7-3-5-9(13)12(15)16/h1-2,4,6,9,17H,3,5,7H2,(H,15,16)/t9-/m0/s1
InChIKey DSVOIQYSPSFAAV-VIFPVBQESA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 18aoSvYn6ae
Name L-Proline, 1-(2-mercaptobenzoyl)-
CAS Registry Number 70491-03-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c14-11(8-4-1-2-6-10(8)17)13-7-3-5-9(13)12(15)16/h1-2,4,6,9,17H,3,5,7H2,(H,15,16)/t9-/m0/s1
InChIKey DSVOIQYSPSFAAV-VIFPVBQESA-N
Molecular Weight 251.300 g/mol
SMILES OC([C@]1(N(C(c2c(cccc2)S)=O)CCC1)[H])=O
SPLASH splash10-052r-6910000000-0640e61afe0a034d2dda
Source of Spectrum Y-25-1011-19
Synonyms (2S)-1-(2-mercaptobenzoyl)proline (2S)-1-(2-sulfanylbenzoyl)pyrrolidine-2-carboxylic acid (2S)-1-(2-sulfanylphenyl)carbonylpyrrolidine-2-carboxylic acid (2S)-1-[(2-mercaptophenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid
Wiley ID 1254375