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2-(2'-Phenylthiazol-4'-yl)pent-4-enyl p-Methylbenzenesulfonate
SpectraBase Compound ID GuWp4KSbrIC
InChI InChI=1S/C21H21NO3S2/c1-3-7-18(14-25-27(23,24)19-12-10-16(2)11-13-19)20-15-26-21(22-20)17-8-5-4-6-9-17/h3-6,8-13,15,18H,1,7,14H2,2H3
InChIKey WGDRVQGUYPCVRW-UHFFFAOYSA-N
Mol Weight 399.52 g/mol
Molecular Formula C21H21NO3S2
Exact Mass 399.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID InTA5SlvKis
Name 2-(2'-Phenylthiazol-4'-yl)pent-4-enyl p-Methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO3S2
InChI InChI=1S/C21H21NO3S2/c1-3-7-18(14-25-27(23,24)19-12-10-16(2)11-13-19)20-15-26-21(22-20)17-8-5-4-6-9-17/h3-6,8-13,15,18H,1,7,14H2,2H3
InChIKey WGDRVQGUYPCVRW-UHFFFAOYSA-N
Molecular Weight 399.523 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C(c1nc(-c2ccccc2)sc1)CC=C
SPLASH splash10-0002-1059100000-cc0dae131516a2bb08f9
Source of Spectrum F5-6-371-12c
Synonyms 2-(2-phenylthiazol-4-yl)pent-4-en-1-yl 4-methylbenzenesulfonate
Wiley ID 1733353