| SpectraBase Spectrum ID |
IbNtoA9a8uL |
| Name |
Phthalic acid, 4-nitrophenyl 2-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.089937201 u |
| Formula |
C17H15NO6 |
| InChI |
InChI=1S/C17H15NO6/c1-11(2)23-16(19)14-5-3-4-6-15(14)17(20)24-13-9-7-12(8-10-13)18(21)22/h3-11H,1-2H3 |
| InChIKey |
WTDOQNNTRZODSB-UHFFFAOYSA-N |
| Molecular Weight |
329.308 g/mol |
| SMILES |
C1(=C(C=CC=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)C(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860522 |
