| SpectraBase Spectrum ID |
3B6j8iQN9kC |
| Name |
Phenol, 2,2'-methylenebis-, dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.136159120 u |
| Formula |
C27H20O4 |
| InChI |
InChI=1S/C27H20O4/c28-26(20-11-3-1-4-12-20)30-24-17-9-7-15-22(24)19-23-16-8-10-18-25(23)31-27(29)21-13-5-2-6-14-21/h1-18H,19H2 |
| InChIKey |
AVAQZSADUBMZMF-UHFFFAOYSA-N |
| Molecular Weight |
408.453 g/mol |
| SMILES |
C(C1=C(C=CC=C1)OC(=O)C1=CC=CC=C1)C1=CC=CC=C1OC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910286 |
