| SpectraBase Spectrum ID |
1zVE7Qbxs0B |
| Name |
5-Phenyl-4-pentanone-p-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.110672646 u |
| Formula |
C18H17NO5 |
| InChI |
InChI=1S/C18H17NO5/c20-17(13-14-5-2-1-3-6-14)7-4-12-24-18(21)15-8-10-16(11-9-15)19(22)23/h1-3,5-6,8-11H,4,7,12-13H2 |
| InChIKey |
NYYVHZPOTPAGSX-UHFFFAOYSA-N |
| Molecular Weight |
327.336 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C(=O)OCCCC(=O)CC2=CC=CC=C2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936012 |
