| SpectraBase Spectrum ID |
AGZnY0ACPVN |
| Name |
2-(5,6-Dihydro-2H-pyran-2-yl)-1-(4-nitrophenyl)ethanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.100107963 u |
| Formula |
C13H15NO4 |
| InChI |
InChI=1S/C13H15NO4/c15-13(9-12-3-1-2-8-18-12)10-4-6-11(7-5-10)14(16)17/h1,3-7,12-13,15H,2,8-9H2 |
| InChIKey |
FHSJNJZNBYHYEK-UHFFFAOYSA-N |
| Molecular Weight |
249.266 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C(CC2OCCC=C2)O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973671 |
