| SpectraBase Spectrum ID |
4qXM6FY07Wk |
| Name |
4,4'-(1,3-Dimethylbutylidene)bisphenol, trimethylacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.219494823 u |
| Formula |
C23H30O3 |
| InChI |
InChI=1S/C23H30O3/c1-16(2)15-23(6,17-7-11-19(24)12-8-17)18-9-13-20(14-10-18)26-21(25)22(3,4)5/h7-14,16,24H,15H2,1-6H3 |
| InChIKey |
DNSPGRMEQMFLQZ-UHFFFAOYSA-N |
| Molecular Weight |
354.490 g/mol |
| SMILES |
C1(OC(C(C)(C)C)=O)=CC=C(C=C1)C(CC(C)C)(C)C1=CC=C(C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901839 |
