| SpectraBase Spectrum ID |
FaxNOngsEiE |
| Name |
3-Nitrophenethyl alcohol, N-propyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
209.105193344 u |
| Formula |
C11H15NO3 |
| InChI |
InChI=1S/C11H15NO3/c1-2-7-15-8-6-10-4-3-5-11(9-10)12(13)14/h3-5,9H,2,6-8H2,1H3 |
| InChIKey |
JTTIILTYHKUNJP-UHFFFAOYSA-N |
| Molecular Weight |
209.245 g/mol |
| SMILES |
C1(=CC(=CC=C1)N(=O)=O)CCOCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868964 |
