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[(2S,3S)-3-isohexyl-3-methyl-oxiran-2-yl]methanol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

[(2S,3S)-3-isohexyl-3-methyl-oxiran-2-yl]methanol
SpectraBase Compound ID FT83sQtL6ul
InChI InChI=1S/C10H20O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h8-9,11H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKey UTZUMWVVZQDNEL-UWVGGRQHSA-N
Mol Weight 172.27 g/mol
Molecular Formula C10H20O2
Exact Mass 172.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 156jChtGMsk
Name [(2S,3S)-3-Isohexyl-3-methyl-oxiran-2-yl]methanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.146329882 u
Formula C10H20O2
InChI InChI=1S/C10H20O2/c1-8(2)5-4-6-10(3)9(7-11)12-10/h8-9,11H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKey UTZUMWVVZQDNEL-UWVGGRQHSA-N
Molecular Weight 172.268 g/mol
SMILES [C@@]1(O[C@]1(CO)[H])(CCCC(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965323