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 |