Undecanoic acid, 11-[[10-(acetyloxy)decyl]thio]-, methyl ester

SpectraBase Compound ID	AFBAwTN66mp
InChI	InChI=1S/C24H46O4S/c1-23(25)28-20-16-12-8-4-6-10-14-18-22-29-21-17-13-9-5-3-7-11-15-19-24(26)27-2/h3-22H2,1-2H3
InChIKey	MFDYUGYEUWBQOY-UHFFFAOYSA-N Google Search
Mol Weight	430.7 g/mol
Molecular Formula	C24H46O4S
Exact Mass	430.311681 g/mol

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SpectraBase Spectrum ID	4shpcg51Xmv
Name	Undecanoic acid, 11-[[10-(acetyloxy)decyl]thio]-, methyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	430.311681131 u
Formula	C24H46O4S
InChI	InChI=1S/C24H46O4S/c1-23(25)28-20-16-12-8-4-6-10-14-18-22-29-21-17-13-9-5-3-7-11-15-19-24(26)27-2/h3-22H2,1-2H3
InChIKey	MFDYUGYEUWBQOY-UHFFFAOYSA-N
Molecular Weight	430.688 g/mol
SMILES	COC(=O)CCCCCCCCCCSCCCCCCCCCCOC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.933153