| SpectraBase Spectrum ID |
KYJDP1Sr7a2 |
| Name |
Phenethyl alcohol, p-nitro-.alpha.-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.089543280 u |
| Formula |
C14H13NO3 |
| InChI |
InChI=1S/C14H13NO3/c16-14(12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)15(17)18/h1-9,14,16H,10H2 |
| InChIKey |
MEWODLZYZUQZST-UHFFFAOYSA-N |
| Molecular Weight |
243.262 g/mol |
| SMILES |
C(CC1=CC=C(C=C1)N(=O)=O)(O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968634 |
