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3-(2-Ethyl-2-hydroxybutylsulfinylmethyl)-3-pentanol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-(2-Ethyl-2-hydroxybutylsulfinylmethyl)-3-pentanol
SpectraBase Compound ID ESP5lQF3nrm
InChI InChI=1S/C12H26O3S/c1-5-11(13,6-2)9-16(15)10-12(14,7-3)8-4/h13-14H,5-10H2,1-4H3
InChIKey RTUVYUZISNKWRQ-UHFFFAOYSA-N
Mol Weight 250.4 g/mol
Molecular Formula C12H26O3S
Exact Mass 250.160266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FyQDfKBfvfw
Name 3-(2-Ethyl-2-hydroxybutylsulfinylmethyl)-3-pentanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.160265868 u
Formula C12H26O3S
InChI InChI=1S/C12H26O3S/c1-5-11(13,6-2)9-16(15)10-12(14,7-3)8-4/h13-14H,5-10H2,1-4H3
InChIKey RTUVYUZISNKWRQ-UHFFFAOYSA-N
Molecular Weight 250.397 g/mol
SMILES C(S(CC(O)(CC)CC)=O)C(O)(CC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943704