| SpectraBase Spectrum ID |
6MfIXyr3jTH |
| Name |
2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.042258734 u |
| Formula |
C12H8O4 |
| InChI |
InChI=1S/C12H8O4/c1-16-12(15)9-6-10(13)7-4-2-3-5-8(7)11(9)14/h2-6H,1H3 |
| InChIKey |
XPMDGZGDHVXSKC-UHFFFAOYSA-N |
| Molecular Weight |
216.192 g/mol |
| SMILES |
C1(=O)C=C(C(OC)=O)C(C=2C1=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937512 |
