| SpectraBase Spectrum ID |
VCoCv6unvR |
| Name |
Phthalic acid, 4-nitrobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.105587265 u |
| Formula |
C18H17NO6 |
| InChI |
InChI=1S/C18H17NO6/c1-2-11-24-17(20)15-5-3-4-6-16(15)18(21)25-12-13-7-9-14(10-8-13)19(22)23/h3-10H,2,11-12H2,1H3 |
| InChIKey |
YYUQICONHZODBX-UHFFFAOYSA-N |
| Molecular Weight |
343.335 g/mol |
| SMILES |
C(C1=CC=CC=C1C(=O)OCC1=CC=C(C=C1)N(=O)=O)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959213 |
