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3-(1,3-dioxan-2-yl)propanethioic acid S-methyl ester
SpectraBase Compound ID EIMeNcYBZCA
InChI InChI=1S/C8H14O3S/c1-12-7(9)3-4-8-10-5-2-6-11-8/h8H,2-6H2,1H3
InChIKey KPRKAQIVHMWYIP-UHFFFAOYSA-N
Mol Weight 190.26 g/mol
Molecular Formula C8H14O3S
Exact Mass 190.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DYdIRat0K
Name 3-(1,3-dioxan-2-yl)propanethioic acid S-methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O3S
InChI InChI=1S/C8H14O3S/c1-12-7(9)3-4-8-10-5-2-6-11-8/h8H,2-6H2,1H3
InChIKey KPRKAQIVHMWYIP-UHFFFAOYSA-N
Molecular Weight 190.257 g/mol
SMILES C(=O)(SC)CCC1OCCCO1
SPLASH splash10-000l-5900000000-4473b63d2845d88a0667
Source of Spectrum F-54-9073-12
Synonyms S-methyl 3-(1,3-dioxan-2-yl)propanethioate
Wiley ID 808126