| SpectraBase Spectrum ID |
e171j70AlP |
| Name |
Methyl 2-(4-chloro-3-nitrobenzoyl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.024750121 u |
| Formula |
C15H10ClNO5 |
| InChI |
InChI=1S/C15H10ClNO5/c1-22-15(19)11-5-3-2-4-10(11)14(18)9-6-7-12(16)13(8-9)17(20)21/h2-8H,1H3 |
| InChIKey |
YHDJIHYJPQZDFP-UHFFFAOYSA-N |
| Molecular Weight |
319.700 g/mol |
| SMILES |
C1(C(=O)C=2C(=CC=CC2)C(OC)=O)=CC(=C(C=C1)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949657 |
