| SpectraBase Spectrum ID |
7IJ0oOUnpwK |
| Name |
2,2-bis(4-Hydroxy-3-methylphenyl)-4-methylpentane, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.203844759 u |
| Formula |
C22H28O3 |
| InChI |
InChI=1S/C22H28O3/c1-14(2)13-22(6,18-7-9-20(24)15(3)11-18)19-8-10-21(16(4)12-19)25-17(5)23/h7-12,14,24H,13H2,1-6H3 |
| InChIKey |
SHGIHRZDAUTALR-UHFFFAOYSA-N |
| Molecular Weight |
340.463 g/mol |
| SMILES |
C1(O)=C(C=C(C=C1)C(CC(C)C)(C)C1=CC(=C(C=C1)OC(C)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814517 |
