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(E)-2-octenethioic acid S-(4-chlorophenyl) ester
SpectraBase Compound ID 90RZEwG96wk
InChI InChI=1S/C14H17ClOS/c1-2-3-4-5-6-7-14(16)17-13-10-8-12(15)9-11-13/h6-11H,2-5H2,1H3/b7-6+
InChIKey GUKRRLFXDDUZJU-VOTSOKGWSA-N
Mol Weight 268.8 g/mol
Molecular Formula C14H17ClOS
Exact Mass 268.068864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SH6e4rIN0O
Name (E)-2-octenethioic acid S-(4-chlorophenyl) ester
Alternate Name(s) (E)-oct-2-enethioic acid S-(4-chlorophenyl) ester S-(4-chlorophenyl) (E)-oct-2-enethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17ClOS
InChI InChI=1S/C14H17ClOS/c1-2-3-4-5-6-7-14(16)17-13-10-8-12(15)9-11-13/h6-11H,2-5H2,1H3/b7-6+
InChIKey GUKRRLFXDDUZJU-VOTSOKGWSA-N
Molecular Weight 268.802 g/mol
SMILES C(Sc1ccc(cc1)Cl)(\C=C\CCCCC)=O
SPLASH splash10-004i-2900000000-da496a5e96292c429468
Source of Spectrum SK-30-2798-3
Wiley ID 881485