| SpectraBase Spectrum ID |
LdG8av7hgkw |
| Name |
4,4'-(1,3-Dimethylbutylidene)bisphenol, bis(trimethylacetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.277009700 u |
| Formula |
C28H38O4 |
| InChI |
InChI=1S/C28H38O4/c1-19(2)18-28(9,20-10-14-22(15-11-20)31-24(29)26(3,4)5)21-12-16-23(17-13-21)32-25(30)27(6,7)8/h10-17,19H,18H2,1-9H3 |
| InChIKey |
PBDKEJXULMUDPN-UHFFFAOYSA-N |
| Molecular Weight |
438.608 g/mol |
| SMILES |
C1(OC(C(C)(C)C)=O)=CC=C(C=C1)C(CC(C)C)(C)C1=CC=C(C=C1)OC(C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852621 |
