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(S,E)-2,6-Dimethyl-5-(2-methylpropan-2-sulfonyl)-3-heptene
SpectraBase Compound ID ADB0Q3fz24k
InChI InChI=1S/C13H26O2S/c1-10(2)8-9-12(11(3)4)16(14,15)13(5,6)7/h8-12H,1-7H3/b9-8+/t12-/m1/s1
InChIKey BUBLPLNMSJOROO-IDVQTMNDSA-N
Mol Weight 246.41 g/mol
Molecular Formula C13H26O2S
Exact Mass 246.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WUzQufgkOz
Name (S,E)-2,6-Dimethyl-5-(2-methylpropan-2-sulfonyl)-3-heptene
Alternate Name(s) (3E,5S)-5-(tert-butylsulfonyl)-2,6-dimethyl-3-heptene tert-Butyl (1S,2E)-1-isopropyl-4-methyl-2-pentenyl sulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O2S
InChI InChI=1S/C13H26O2S/c1-10(2)8-9-12(11(3)4)16(14,15)13(5,6)7/h8-12H,1-7H3/b9-8+/t12-/m1/s1
InChIKey BUBLPLNMSJOROO-IDVQTMNDSA-N
Molecular Weight 246.409 g/mol
SMILES CC(\C=C\[C@](C(C)C)(S(=O)(=O)C(C)(C)C)[H])C
SPLASH splash10-004i-2900000000-f9640f8e6f34da92bd5b
Source of Spectrum QF-9-4218-4
Wiley ID 1558798