| SpectraBase Spectrum ID |
E4xp0BX2zSb |
| Name |
(S)-(-)-1-phenyl-3-nitro-1-propanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
181.073893215 u |
| Formula |
C9H11NO3 |
| InChI |
InChI=1S/C9H11NO3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1 |
| InChIKey |
VOELZSMOIBLVQT-VIFPVBQESA-N |
| Molecular Weight |
181.191 g/mol |
| SMILES |
C(N(=O)=O)C[C@@](C=1C=CC=CC1)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933509 |
