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S-Benzyl 2,4-dimethylhept-4-enethioate
SpectraBase Compound ID 2hQpcpkh0hH
InChI InChI=1S/C16H22OS/c1-4-8-13(2)11-14(3)16(17)18-12-15-9-6-5-7-10-15/h5-10,14H,4,11-12H2,1-3H3/b13-8+
InChIKey KFWFCASBOVXRTM-MDWZMJQESA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L3BX02tKc4g
Name S-Benzyl 2,4-dimethylhept-4-enethioate
Alternate Name(s) S-benzyl (4E)-2,4-dimethyl-4-heptenethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c1-4-8-13(2)11-14(3)16(17)18-12-15-9-6-5-7-10-15/h5-10,14H,4,11-12H2,1-3H3/b13-8+
InChIKey KFWFCASBOVXRTM-MDWZMJQESA-N
Molecular Weight 262.411 g/mol
SMILES C(SCc1ccccc1)(C(C\C(=C\CC)C)C)=O
SPLASH splash10-014i-9200000000-d928bc8bf466262b91f2
Source of Spectrum H-80-1331-7
Wiley ID 1266091