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(S,E)-S-Ethyl 5,7-dimethyloct-3-enethioate
SpectraBase Compound ID ymZv9lSjp1
InChI InChI=1S/C12H22OS/c1-5-14-12(13)8-6-7-11(4)9-10(2)3/h6-7,10-11H,5,8-9H2,1-4H3/b7-6+/t11-/m1/s1
InChIKey VCXZWJMODRBCPD-XUIVZRPNSA-N
Mol Weight 214.37 g/mol
Molecular Formula C12H22OS
Exact Mass 214.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Ui4APA02CO
Name (S,E)-S-Ethyl 5,7-dimethyloct-3-enethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22OS
InChI InChI=1S/C12H22OS/c1-5-14-12(13)8-6-7-11(4)9-10(2)3/h6-7,10-11H,5,8-9H2,1-4H3/b7-6+/t11-/m1/s1
InChIKey VCXZWJMODRBCPD-XUIVZRPNSA-N
Molecular Weight 214.367 g/mol
SMILES C(=O)(SCC)C\C=C\[C@](CC(C)C)(C)[H]
SPLASH splash10-014i-9000000000-0b6c0e33828bd7886a7b
Source of Spectrum QC-21-1581-13c
Synonyms (E,5S)-5,7-dimethyl-3-octenethioic acid S-ethyl ester S-ethyl (E,5S)-5,7-dimethyloct-3-enethioate
Wiley ID 1688441