| SpectraBase Spectrum ID |
uUneEJt4Xp |
| Name |
2-(2-Chloro-3,4-diketo-cyclobuten-1-yl)acetic acid phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.003286401 u |
| Formula |
C12H7ClO4 |
| InChI |
InChI=1S/C12H7ClO4/c13-10-8(11(15)12(10)16)6-9(14)17-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey |
FUOOMXWVSQDXLS-UHFFFAOYSA-N |
| Molecular Weight |
250.637 g/mol |
| SMILES |
C1(=C(Cl)C(C1=O)=O)CC(OC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978855 |
