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Cyclopentanone, 3-[2-(1,3-dithian-2-ylidene)-1-methylpropyl]-2-methyl-2-(2-propenyl)- , [2.alpha.,3.alpha.(R*)]-(.+-.)-
SpectraBase Compound ID I85slyWd7e9
InChI InChI=1S/C17H26OS2/c1-5-9-17(4)14(7-8-15(17)18)12(2)13(3)16-19-10-6-11-20-16/h5,12,14H,1,6-11H2,2-4H3/t12?,14-,17+/m0/s1
InChIKey LCJYXRGGAGMVKC-CRLJJSMGSA-N
Mol Weight 310.51 g/mol
Molecular Formula C17H26OS2
Exact Mass 310.142508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQBGNJl1JRR
Name Cyclopentanone, 3-[2-(1,3-dithian-2-ylidene)-1-methylpropyl]-2-methyl-2-(2-propenyl)- , [2.alpha.,3.alpha.(R*)]-(.+-.)-
Alternate Name(s) (2R,3S)-2-allyl-3-[2-(1,3-dithian-2-ylidene)-1-methylpropyl]-2-methylcyclopentanone 1,3-Dithiane, cyclopentanone deriv. 3-(3-Dithianylidenyl-2-butyl)-2-methyl-2-isopropenylcyclopentanone
CAS Registry Number 83602-30-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26OS2
InChI InChI=1S/C17H26OS2/c1-5-9-17(4)14(7-8-15(17)18)12(2)13(3)16-19-10-6-11-20-16/h5,12,14H,1,6-11H2,2-4H3/t12?,14-,17+/m0/s1
InChIKey LCJYXRGGAGMVKC-CRLJJSMGSA-N
Molecular Weight 310.514 g/mol
SMILES C1(=C(C([C@]2([C@](C(=O)CC2)(CC=C)C)[H])C)C)SCCCS1
SPLASH splash10-00di-0900000000-4777480c9807f460e003
Source of Spectrum C-104-7178-0
Wiley ID 1311500