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3-Heptene, 4-[2-(methylsulfonyl)ethyl]-, (E)-
SpectraBase Compound ID B4eiZJhWSwh
InChI InChI=1S/C10H20O2S/c1-4-6-10(7-5-2)8-9-13(3,11)12/h6H,4-5,7-9H2,1-3H3/b10-6+
InChIKey MAMDFCLBWRLYJI-UXBLZVDNSA-N
Mol Weight 204.33 g/mol
Molecular Formula C10H20O2S
Exact Mass 204.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JxjMSB4xWGo
Name 3-Heptene, 4-[2-(methylsulfonyl)ethyl]-, (E)-
Alternate Name(s) (3E)-4-[2-(methylsulfonyl)ethyl]-3-heptene (E)-1-Methylsulfonyl-3-n-propyl-3-hexene Methyl (3E)-3-propyl-3-hexenyl sulfone (E)-4-(2-methylsulfonylethyl)-3-heptene (E)-4-(2-methylsulfonylethyl)hept-3-ene
CAS Registry Number 67428-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H20O2S
InChI InChI=1S/C10H20O2S/c1-4-6-10(7-5-2)8-9-13(3,11)12/h6H,4-5,7-9H2,1-3H3/b10-6+
InChIKey MAMDFCLBWRLYJI-UXBLZVDNSA-N
Molecular Weight 204.328 g/mol
SMILES C(S(=O)(=O)C)C\C(=C\CC)CCC
SPLASH splash10-001i-9200000000-085eb83d448daaa60c7a
Source of Spectrum C-100-3432-0
Wiley ID 1201516