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S-Benzyl (2S)-2,4-dimethylhex-4-enethioate
SpectraBase Compound ID 9IZwN9X9jqV
InChI InChI=1S/C15H20OS/c1-4-12(2)10-13(3)15(16)17-11-14-8-6-5-7-9-14/h4-9,13H,10-11H2,1-3H3/b12-4-/t13-/m0/s1
InChIKey NFNBJVDKEGBXKV-VEIWZVCTSA-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 BS7H2pRTEkf
Name S-Benzyl (2S)-2,4-dimethylhex-4-enethioate
Alternate Name(s) S-benzyl (2S,4Z)-2,4-dimethyl-4-hexenethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c1-4-12(2)10-13(3)15(16)17-11-14-8-6-5-7-9-14/h4-9,13H,10-11H2,1-3H3/b12-4-/t13-/m0/s1
InChIKey NFNBJVDKEGBXKV-VEIWZVCTSA-N
Molecular Weight 248.384 g/mol
SMILES C(SCc1ccccc1)([C@](C\C(=C/C)C)(C)[H])=O
SPLASH splash10-0aos-9100000000-9a675b6066d43cc7796d
Source of Spectrum H-80-1331-7
Wiley ID 1251239