| SpectraBase Spectrum ID |
HJ6LW4Teglv |
| Name |
(+-)[(2S,3S)-3-(hydroxymethyl)oxiran-2-yl](phenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.062994179 u |
| Formula |
C10H10O3 |
| InChI |
InChI=1S/C10H10O3/c11-6-8-10(13-8)9(12)7-4-2-1-3-5-7/h1-5,8,10-11H,6H2/t8-,10-/m0/s1 |
| InChIKey |
VQVFZYUNMUDVBV-WPRPVWTQSA-N |
| Molecular Weight |
178.187 g/mol |
| SMILES |
[C@]1(O[C@]1(CO)[H])(C(=O)C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966349 |