John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3QASenN0U5h SpectraBase Spectrum ID=5HrkHJUf1Xc

(accessed ).
1-Heptanone, 7-chloro-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
SpectraBase Compound ID 3QASenN0U5h
InChI InChI=1S/C18H27ClOS2/c1-18(21-13-8-14-22-18)16-10-6-5-9-15(16)17(20)11-4-2-3-7-12-19/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3/t15-,16-/m0/s1
InChIKey BWMBMEJMOPUVNH-HOTGVXAUSA-N
Mol Weight 358.99 g/mol
Molecular Formula C18H27ClOS2
Exact Mass 358.119186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HrkHJUf1Xc
Name 1-Heptanone, 7-chloro-1-[6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-, trans-
Alternate Name(s) 7-Chloro-1-[(1S,6S)-6-(2-methyl-1,3-dithian-2-yl)-2,4-cyclohexadien-1-yl]-1-heptanone 7-Chloro-1-[6-(2-methyl-1,3-dithian-2-yl)cyclohexa-2,4-dien-1-yl]heptan-1-one
CAS Registry Number 129296-22-6
Classification Dithioketals
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Formula C18H27ClOS2
InChI InChI=1S/C18H27ClOS2/c1-18(21-13-8-14-22-18)16-10-6-5-9-15(16)17(20)11-4-2-3-7-12-19/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3/t15-,16-/m0/s1
InChIKey BWMBMEJMOPUVNH-HOTGVXAUSA-N
SPLASH splash10-001i-0910000000-0de7189314947eba7034
Source of Spectrum H-73-402-27
Wiley ID 1346926