| SpectraBase Spectrum ID |
1rpQJcKf0IH |
| Name |
4-Phenyl-3-(4-methoxybenzyl)-1,2-diacetoxynaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.162373868 u |
| Formula |
C28H24O5 |
| InChI |
InChI=1S/C28H24O5/c1-18(29)32-27-24-12-8-7-11-23(24)26(21-9-5-4-6-10-21)25(28(27)33-19(2)30)17-20-13-15-22(31-3)16-14-20/h4-16H,17H2,1-3H3 |
| InChIKey |
PCODPPATCVACSX-UHFFFAOYSA-N |
| Molecular Weight |
440.495 g/mol |
| SMILES |
C=1(C(=C(C(=C2C=CC=CC12)C=1C=CC=CC1)CC=1C=CC(=CC1)OC)OC(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937355 |
