| SpectraBase Spectrum ID |
K1hzYCs83T4 |
| Name |
(2S,3S)-(-)-3-(4-nitrophenyl)glycidol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.053157770 u |
| Formula |
C9H9NO4 |
| InChI |
InChI=1S/C9H9NO4/c11-5-8-9(14-8)6-1-3-7(4-2-6)10(12)13/h1-4,8-9,11H,5H2/t8-,9-/m0/s1 |
| InChIKey |
TVWSYFXHQPGITR-IUCAKERBSA-N |
| Molecular Weight |
195.174 g/mol |
| SMILES |
[C@@]1(O[C@]1(C1=CC=C([N+]([O-])=O)C=C1)[H])(CO)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.937366 |
