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S-(p-Tolyl) 1-pentylethene-2-(monothio)carboxylate
SpectraBase Compound ID 9XTwE5N18td
InChI InChI=1S/C15H20OS/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h7-12H,3-6H2,1-2H3/b8-7+
InChIKey OFHMGQHKHMHQQK-BQYQJAHWSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPZYwyEpdnU
Name S-(p-Tolyl) 1-pentylethene-2-(monothio)carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h7-12H,3-6H2,1-2H3/b8-7+
InChIKey OFHMGQHKHMHQQK-BQYQJAHWSA-N
Molecular Weight 248.384 g/mol
SMILES C(Sc1ccc(cc1)C)(\C=C\CCCCC)=O
SPLASH splash10-004i-1900000000-e3d7d09f323f94db990f
Source of Spectrum SK-30-2798-3
Synonyms S-(4-methylphenyl) (2E)-2-octenethioate (E)-2-octenethioic acid S-(4-methylphenyl) ester S-(p-tolyl) (E)-oct-2-enethioate S-(4-methylphenyl) (E)-oct-2-enethioate
Wiley ID 881487