| SpectraBase Spectrum ID |
KIsZEIX2av8 |
| Name |
2-Acetyl-8-methoxy-9,10-dioxo-9,10-dihydroanthracen-1-yl acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.079038165 u |
| Formula |
C19H14O6 |
| InChI |
InChI=1S/C19H14O6/c1-9(20)11-7-8-13-16(19(11)25-10(2)21)18(23)15-12(17(13)22)5-4-6-14(15)24-3/h4-8H,1-3H3 |
| InChIKey |
NXCMWPPBPGWWHC-UHFFFAOYSA-N |
| Molecular Weight |
338.315 g/mol |
| SMILES |
C(C)(=O)OC=1C(=CC=C2C(C=3C=CC=C(C3C(C12)=O)OC)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90611 |
