| SpectraBase Spectrum ID |
CKkK3XiEpM2 |
| Name |
2-(3-Chloro-1,4-diketo-2-naphthyl)acrylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.018936466 u |
| Formula |
C14H9ClO4 |
| InChI |
InChI=1S/C14H9ClO4/c1-7(14(18)19-2)10-11(15)13(17)9-6-4-3-5-8(9)12(10)16/h3-6H,1H2,2H3 |
| InChIKey |
SIDSDEGOQBVIOQ-UHFFFAOYSA-N |
| Molecular Weight |
276.675 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)Cl)C(C(=O)OC)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832383 |
