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(E)-2-heptenethioic acid S-(4-methylphenyl) ester
SpectraBase Compound ID DSWfsoxm0Vk
InChI InChI=1S/C14H18OS/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h6-11H,3-5H2,1-2H3/b7-6+
InChIKey YVTJCYPKDVBXEZ-VOTSOKGWSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh9x5dQwAd8
Name (E)-2-heptenethioic acid S-(4-methylphenyl) ester
Alternate Name(s) (E)-hept-2-enethioic acid S-(p-tolyl) ester S-(4-methylphenyl) (E)-hept-2-enethioate S-(p-tolyl) (E)-hept-2-enethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-3-4-5-6-7-14(15)16-13-10-8-12(2)9-11-13/h6-11H,3-5H2,1-2H3/b7-6+
InChIKey YVTJCYPKDVBXEZ-VOTSOKGWSA-N
Molecular Weight 234.357 g/mol
SMILES C(Sc1ccc(cc1)C)(\C=C\CCCC)=O
SPLASH splash10-08fr-4090000000-f975f31f2948b371e706
Source of Spectrum SK-30-2798-3
Wiley ID 881488