| SpectraBase Spectrum ID |
LM1uKcao16X |
| Name |
2-Anthraceneacetic acid, 4,10-dimethoxy-3-(methoxycarbonyl)-9-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.141638422 u |
| Formula |
C22H22O6 |
| InChI |
InChI=1S/C22H22O6/c1-12-14-8-6-7-9-15(14)20(26-3)19-16(12)10-13(11-17(23)25-2)18(21(19)27-4)22(24)28-5/h6-10H,11H2,1-5H3 |
| InChIKey |
IIJFWZJXWBVCBM-UHFFFAOYSA-N |
| Molecular Weight |
382.412 g/mol |
| SMILES |
C=12C(C(C)=C3C(=C2OC)C=CC=C3)=CC(=C(C1OC)C(=O)OC)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965901 |
