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1-(2-Hydroxy-3,3-dimethylbutylsulfonyl)-3,3-dimethyl-2-butanol

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

1-(2-Hydroxy-3,3-dimethylbutylsulfonyl)-3,3-dimethyl-2-butanol
SpectraBase Compound ID FKRs3v8HVNQ
InChI InChI=1S/C12H26O4S/c1-11(2,3)9(13)7-17(15,16)8-10(14)12(4,5)6/h9-10,13-14H,7-8H2,1-6H3
InChIKey OPQOBMGJZKVQEC-UHFFFAOYSA-N
Mol Weight 266.4 g/mol
Molecular Formula C12H26O4S
Exact Mass 266.15518 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7j3MBUnSFnl
Name 1-(2-Hydroxy-3,3-dimethylbutylsulfonyl)-3,3-dimethyl-2-butanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.155180487 u
Formula C12H26O4S
InChI InChI=1S/C12H26O4S/c1-11(2,3)9(13)7-17(15,16)8-10(14)12(4,5)6/h9-10,13-14H,7-8H2,1-6H3
InChIKey OPQOBMGJZKVQEC-UHFFFAOYSA-N
Molecular Weight 266.396 g/mol
SMILES C(C(C(C)(C)C)O)S(=O)(=O)CC(C(C)(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.921165