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s-Propyl Thiobenzoate
SpectraBase Compound ID JbNwEkdjbOR
InChI InChI=1S/C10H12OS/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey YPACPXJQEYROHD-UHFFFAOYSA-N
Mol Weight 180.26 g/mol
Molecular Formula C10H12OS
Exact Mass 180.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxjsKBwjNK2
Name Benzenecarbothioic acid, S-propyl ester
CAS Registry Number 39251-01-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12OS
InChI InChI=1S/C10H12OS/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey YPACPXJQEYROHD-UHFFFAOYSA-N
Molecular Weight 180.265 g/mol
SMILES c1cc(C(SCCC)=O)ccc1
SPLASH splash10-0a4i-3900000000-dc76811507853245e84d
Source of Spectrum NP-2-9733-0
Synonyms S-Propyl benzenecarbothioate Thiobenzoic acid S-propyl ester
Wiley ID 1101996