| SpectraBase Spectrum ID |
Dmsetwxt1lC |
| Name |
2-(3'-Methyl-1',4'-dioxo-1',4'-dihydro-2'-naphthalenyl)-benzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.078644243 u |
| Formula |
C18H12O3 |
| InChI |
InChI=1S/C18H12O3/c1-11-16(13-7-3-2-6-12(13)10-19)18(21)15-9-5-4-8-14(15)17(11)20/h2-10H,1H3 |
| InChIKey |
KPVPSSZXFCFYQY-UHFFFAOYSA-N |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C=CC=C2)C)C=1C(C=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964562 |
