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[(2S,3S)-3-[(1S)-1-methylpropyl]oxiran-2-yl]methanol
SpectraBase Compound ID C3hUPAfqco2
InChI InChI=1S/C7H14O2/c1-3-5(2)7-6(4-8)9-7/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m0/s1
InChIKey PTOIJBWGCSYXOX-ACZMJKKPSA-N
Mol Weight 130.19 g/mol
Molecular Formula C7H14O2
Exact Mass 130.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ap0rMhw4AmS
Name [(2S,3S)-3-[(1S)-1-Methylpropyl]oxiran-2-yl]methanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 130.099379689 u
Formula C7H14O2
InChI InChI=1S/C7H14O2/c1-3-5(2)7-6(4-8)9-7/h5-8H,3-4H2,1-2H3/t5-,6-,7-/m0/s1
InChIKey PTOIJBWGCSYXOX-ACZMJKKPSA-N
Molecular Weight 130.187 g/mol
SMILES [C@@]1(O[C@]1([C@](CC)(C)[H])[H])(CO)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839726