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Carbamic acid, [2-[2-oxo-3-(phenylsulfinyl)propyl]phenyl]-, phenylmethyl ester
SpectraBase Compound ID 2MKQtEYDdPq
InChI InChI=1S/C23H21NO4S/c25-20(17-29(27)21-12-5-2-6-13-21)15-19-11-7-8-14-22(19)24-23(26)28-16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,26)
InChIKey MPHJSMHAQMZVRW-UHFFFAOYSA-N
Mol Weight 407.48 g/mol
Molecular Formula C23H21NO4S
Exact Mass 407.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RyOhbMTduF
Name Carbamic acid, [2-[2-oxo-3-(phenylsulfinyl)propyl]phenyl]-, phenylmethyl ester
Alternate Name(s) benzyl 2-[2-oxo-3-(phenylsulfinyl)propyl]phenylcarbamate N-{2-[2-oxo-3-(phenylsulfinyl)propyl]phenyl}carbamidsaure-benzylester
CAS Registry Number 104737-15-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO4S
InChI InChI=1S/C23H21NO4S/c25-20(17-29(27)21-12-5-2-6-13-21)15-19-11-7-8-14-22(19)24-23(26)28-16-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,24,26)
InChIKey MPHJSMHAQMZVRW-UHFFFAOYSA-N
Molecular Weight 407.484 g/mol
SMILES N(C(=O)OCc1ccccc1)c1c(CC(CS(=O)c2ccccc2)=O)cccc1
SPLASH splash10-0006-9000000000-c4a523b9ba724df154b8
Source of Spectrum H-68-1839-5
Wiley ID 1372573