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Benzenepentanoic acid, .alpha.-[[(1,1-dimethylethyl)thio]carbonyl]-.alpha.-methyl-, ethyl ester
SpectraBase Compound ID 8NBnxC285NQ
InChI InChI=1S/C19H28O3S/c1-6-22-16(20)19(5,17(21)23-18(2,3)4)14-10-13-15-11-8-7-9-12-15/h7-9,11-12H,6,10,13-14H2,1-5H3
InChIKey SJWPCMNPBIPPFR-UHFFFAOYSA-N
Mol Weight 336.49 g/mol
Molecular Formula C19H28O3S
Exact Mass 336.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41tNAuQ6Pqo
Name Benzenepentanoic acid, .alpha.-[[(1,1-dimethylethyl)thio]carbonyl]-.alpha.-methyl-, ethyl ester
Alternate Name(s) Ethyl 2-[(tert-butylsulfanyl)carbonyl]-2-methyl-5-phenylpentanoate
CAS Registry Number 114739-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O3S
InChI InChI=1S/C19H28O3S/c1-6-22-16(20)19(5,17(21)23-18(2,3)4)14-10-13-15-11-8-7-9-12-15/h7-9,11-12H,6,10,13-14H2,1-5H3
InChIKey SJWPCMNPBIPPFR-UHFFFAOYSA-N
Molecular Weight 336.490 g/mol
SMILES C(C(SC(C)(C)C)=O)(C(=O)OCC)(CCCc1ccccc1)C
SPLASH splash10-0a4i-9010000000-5b2d1a6cfbd21171a96d
Source of Spectrum C-110-4651-7
Wiley ID 1332410