| SpectraBase Spectrum ID |
JPXyJe9IMKN |
| Name |
(S)-(+)-1-(4-fluorophenyl)-2-nitroethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
185.048821282 u |
| Formula |
C8H8FNO3 |
| InChI |
InChI=1S/C8H8FNO3/c9-7-3-1-6(2-4-7)8(11)5-10(12)13/h1-4,8,11H,5H2/t8-/m1/s1 |
| InChIKey |
VHQOMTRRZXGIFH-MRVPVSSYSA-N |
| Molecular Weight |
185.154 g/mol |
| SMILES |
C=1C=C(C=CC1F)[C@@](C[N+](=O)[O-])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903465 |
