| SpectraBase Spectrum ID |
Jm8nZ9Bq2Ad |
| Name |
(Z)-2-(Chloromethyl)-3-(3-nitrophenyl)-2-propenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.045485566 u |
| Formula |
C12H12ClNO4 |
| InChI |
InChI=1S/C12H12ClNO4/c1-2-18-12(15)10(8-13)6-9-4-3-5-11(7-9)14(16)17/h3-7H,2,8H2,1H3/b10-6+ |
| InChIKey |
DDCULXMXZRAGLH-UXBLZVDNSA-N |
| Molecular Weight |
269.684 g/mol |
| SMILES |
C(\C(=C\C=1C=C(C=CC1)N(=O)=O)CCl)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918265 |
