![[(2S,3S)-3-butyl-2-oxiranyl]methanol](/api/spectrum/2QPyl4wwMjH/structure.png?h=300&w=458 "[(2S,3S)-3-butyl-2-oxiranyl]methanol")
| SpectraBase Compound ID | KTNCXkvFJMC |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-2-3-4-6-7(5-8)9-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1 |
| InChIKey | VJHAPKJZBOYGOD-BQBZGAKWSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2QPyl4wwMjH |
|---|---|
| Name | [(2S,3S)-3-Butyl-2-oxiranyl]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/c1-2-3-4-6-7(5-8)9-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1 |
| InChIKey | VJHAPKJZBOYGOD-BQBZGAKWSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | [C@@]1(O[C@]1(CCCC)[H])(CO)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945942 |