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1,3-Dithiane, 2-[3-[1,3-dimethyl-2-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-3-cyclohexen-1-yl]propyl]-, [1S-(1.alpha.,2.alpha.)]-
SpectraBase Compound ID 292pLu7OeOS
InChI InChI=1S/C21H36O2S2/c1-17-8-5-11-21(2,12-6-10-20-24-14-7-15-25-20)18(17)16-23-19-9-3-4-13-22-19/h8,18-20H,3-7,9-16H2,1-2H3
InChIKey PNHZZCONYCYIPK-UHFFFAOYSA-N
Mol Weight 384.6 g/mol
Molecular Formula C21H36O2S2
Exact Mass 384.215673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfLiMHcMYxC
Name 1,3-Dithiane, 2-[3-[1,3-dimethyl-2-[[(tetrahydro-2H-pyran-2-yl)oxy]methyl]-3-cyclohexen-1-yl]propyl]-, [1S-(1.alpha.,2.alpha.)]-
CAS Registry Number 85329-65-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2S2
InChI InChI=1S/C21H36O2S2/c1-17-8-5-11-21(2,12-6-10-20-24-14-7-15-25-20)18(17)16-23-19-9-3-4-13-22-19/h8,18-20H,3-7,9-16H2,1-2H3
InChIKey PNHZZCONYCYIPK-UHFFFAOYSA-N
Molecular Weight 384.637 g/mol
SMILES C1(C(=CCCC1(CCCC1SCCCS1)C)C)COC1OCCCC1
SPLASH splash10-000i-9010000000-fcc4ab2e124b5034c67c
Source of Spectrum AJ-60-710-15
Synonyms 2-({6-[3-(1,3-dithian-2-yl)propyl]-2,6-dimethyl-2-cyclohexen-1-yl}methoxy)tetrahydro-2H-pyran 2.beta.-(1,2-pyra-2-yloxymethyl)-1,3-dimethyl-1-(3-(1,3-dithiacyclohex-2-yl)propyl)-3-cyclohexene {6-[3-(1,3-dithian-2-yl)propyl]-2,6-dimethyl-2-cyclohexen-1-yl}methyl tetrahydro-2H-pyran-2-yl ether
Wiley ID 1361576