| SpectraBase Spectrum ID |
CpVKR1V5ZJt |
| Name |
1,3-Benzenediol, o-acryloyl-o'-(3-chloropropionyl) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
254.034586530 u |
| Formula |
C12H11ClO4 |
| InChI |
InChI=1S/C12H11ClO4/c1-2-11(14)16-9-4-3-5-10(8-9)17-12(15)6-7-13/h2-5,8H,1,6-7H2 |
| InChIKey |
LVUVXSDKQRKUEK-UHFFFAOYSA-N |
| Molecular Weight |
254.669 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(C=C)=O)OC(=O)CCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962247 |
