| SpectraBase Spectrum ID |
Gm8F3czAV7m |
| Name |
Phthalic acid, 3-chloro-2-nitrobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
377.066614933 u |
| Formula |
C18H16ClNO6 |
| InChI |
InChI=1S/C18H16ClNO6/c1-2-10-25-17(21)13-7-3-4-8-14(13)18(22)26-11-12-6-5-9-15(19)16(12)20(23)24/h3-9H,2,10-11H2,1H3 |
| InChIKey |
IMSOPCSGRCUWLW-UHFFFAOYSA-N |
| Molecular Weight |
377.780 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(=O)OCC=1C=CC=C(Cl)C1N(=O)=O)C(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920157 |
