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2-[(2-hexoxy-2-keto-ethyl)thio]acetic acid hexyl ester
SpectraBase Compound ID HrEwSX3rlgp
InChI InChI=1S/C16H30O4S/c1-3-5-7-9-11-19-15(17)13-21-14-16(18)20-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey XIHIJNIZGRYXKG-UHFFFAOYSA-N
Mol Weight 318.47 g/mol
Molecular Formula C16H30O4S
Exact Mass 318.186481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GsUEfhVrW9e
Name 2-[(2-hexoxy-2-keto-ethyl)thio]acetic acid hexyl ester
CAS Registry Number 108199-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O4S
InChI InChI=1S/C16H30O4S/c1-3-5-7-9-11-19-15(17)13-21-14-16(18)20-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey XIHIJNIZGRYXKG-UHFFFAOYSA-N
Molecular Weight 318.472 g/mol
SMILES C(CCCOC(CSCC(OCCCCCC)=O)=O)CC
SPLASH splash10-001l-8910000000-d258ecc32b10ac5f53f9
Source of Spectrum O-24-130-2
Synonyms 2-[(2-hexoxy-2-oxoethyl)thio]acetic acid hexyl ester Dihexyl thiodiglycollate Hexyl 2-(2-hexoxy-2-oxidanylidene-ethyl)sulfanylethanoate Hexyl 2-(2-hexoxy-2-oxo-ethyl)sulfanylacetate
Wiley ID 1318326