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4-Pentenoic acid, 2-[[(1,1-dimethylethyl)thio]carbonyl]-2-methyl-5-phenyl-, ethyl ester
SpectraBase Compound ID 30yCIAZXK1G
InChI InChI=1S/C19H26O3S/c1-6-22-16(20)19(5,17(21)23-18(2,3)4)14-10-13-15-11-8-7-9-12-15/h7-13H,6,14H2,1-5H3/b13-10+
InChIKey YMCWCZODDKSWFA-JLHYYAGUSA-N
Mol Weight 334.47 g/mol
Molecular Formula C19H26O3S
Exact Mass 334.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpFs6WC0jW0
Name 4-Pentenoic acid, 2-[[(1,1-dimethylethyl)thio]carbonyl]-2-methyl-5-phenyl-, ethyl ester
CAS Registry Number 114739-23-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3S
InChI InChI=1S/C19H26O3S/c1-6-22-16(20)19(5,17(21)23-18(2,3)4)14-10-13-15-11-8-7-9-12-15/h7-13H,6,14H2,1-5H3/b13-10+
InChIKey YMCWCZODDKSWFA-JLHYYAGUSA-N
Molecular Weight 334.474 g/mol
SMILES C(C(SC(C)(C)C)=O)(C(=O)OCC)(C\C=C\c1ccccc1)C
SPLASH splash10-0a4i-9030000000-a5a44ae2c8e4b0813e64
Source of Spectrum C-110-4651-8
Synonyms Ethyl (4E)-2-[(tert-butylsulfanyl)carbonyl]-2-methyl-5-phenyl-4-pentenoate
Wiley ID 1330953