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s-Butyl ester of .alpha.-phenylbenzeneethanethioic acid
SpectraBase Compound ID Kgcd81Tk01B
InChI InChI=1S/C18H20OS/c1-2-3-14-20-18(19)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey GWUBMYPMPWFHFP-UHFFFAOYSA-N
Mol Weight 284.42 g/mol
Molecular Formula C18H20OS
Exact Mass 284.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZlJkpEgYaC
Name s-Butyl ester of .alpha.-phenylbenzeneethanethioic acid
CAS Registry Number 74725-08-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS
InChI InChI=1S/C18H20OS/c1-2-3-14-20-18(19)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKey GWUBMYPMPWFHFP-UHFFFAOYSA-N
Molecular Weight 284.417 g/mol
SMILES C(C(c1ccccc1)c1ccccc1)(=O)SCCCC
SPLASH splash10-014i-0900000000-d7e91dcf9545f83989ea
Source of Spectrum J-45-4364-0
Wiley ID 1288215