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2-(5-Acetyloxy-1-oxopentyl)-2-(methylthio)-1,3-dithiane
SpectraBase Compound ID 59QXnABdsAT
InChI InChI=1S/C12H20O3S3/c1-10(13)15-7-4-3-6-11(14)12(16-2)17-8-5-9-18-12/h3-9H2,1-2H3
InChIKey PYKBCMSUHHGZOF-UHFFFAOYSA-N
Mol Weight 308.47 g/mol
Molecular Formula C12H20O3S3
Exact Mass 308.057458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Enuty25KCVP
Name 2-(5-Acetyloxy-1-oxopentyl)-2-(methylthio)-1,3-dithiane
Alternate Name(s) 5-[2-(methylsulfanyl)-1,3-dithian-2-yl]-5-oxopentyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3S3
InChI InChI=1S/C12H20O3S3/c1-10(13)15-7-4-3-6-11(14)12(16-2)17-8-5-9-18-12/h3-9H2,1-2H3
InChIKey PYKBCMSUHHGZOF-UHFFFAOYSA-N
Molecular Weight 308.469 g/mol
SMILES C1(SCCCS1)(C(=O)CCCCOC(=O)C)SC
SPLASH splash10-014i-0910000000-4847ea23f601378041e3
Source of Spectrum I-69-421-18
Wiley ID 1309368