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1,3-Dithiane, 2-[1-[[(4-methylphenyl)sulfonyl]methyl]nonylidene]-
SpectraBase Compound ID 1l1fANuvLpW
InChI InChI=1S/C21H32O2S3/c1-3-4-5-6-7-8-10-19(21-24-15-9-16-25-21)17-26(22,23)20-13-11-18(2)12-14-20/h11-14H,3-10,15-17H2,1-2H3
InChIKey HQOPXNRBNWZQIG-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C21H32O2S3
Exact Mass 412.156444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lernb9EM4cD
Name 1,3-Dithiane, 2-[1-[[(4-methylphenyl)sulfonyl]methyl]nonylidene]-
Alternate Name(s) 2-(1,3-dithian-2-ylidene)decyl 4-methylphenyl sulfone 2-(1-{[(4-methylphenyl)sulfonyl]methyl}nonylidene)-1,3-dithiane
CAS Registry Number 108895-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2S3
InChI InChI=1S/C21H32O2S3/c1-3-4-5-6-7-8-10-19(21-24-15-9-16-25-21)17-26(22,23)20-13-11-18(2)12-14-20/h11-14H,3-10,15-17H2,1-2H3
InChIKey HQOPXNRBNWZQIG-UHFFFAOYSA-N
Molecular Weight 412.665 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(=C1SCCCS1)CCCCCCCC
SPLASH splash10-052f-9430000000-933fb4c7069547ff92ee
Source of Spectrum J-52-4268-10
Wiley ID 1374358