| SpectraBase Spectrum ID |
3prAYBHC3Rb |
| Name |
2,2'-Dihydroxy-6,6'-dimethylbiphenyl dibenzoate dev. |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.151809184 u |
| Formula |
C28H22O4 |
| InChI |
InChI=1S/C28H22O4/c1-19-11-9-17-23(31-27(29)21-13-5-3-6-14-21)25(19)26-20(2)12-10-18-24(26)32-28(30)22-15-7-4-8-16-22/h3-18H,1-2H3 |
| InChIKey |
NOOLBKSJWZXUDH-UHFFFAOYSA-N |
| Molecular Weight |
422.480 g/mol |
| SMILES |
C=1(C(C=2C(OC(=O)C=3C=CC=CC3)=CC=CC2C)=C(C)C=CC1)OC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884929 |
