| SpectraBase Spectrum ID |
APPRioJAXY0 |
| Name |
2,2,4-Trimethyl-4-(4-hydroxyphenyl)chroman, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
310.156894565 u |
| Formula |
C20H22O3 |
| InChI |
InChI=1S/C20H22O3/c1-14(21)22-16-11-9-15(10-12-16)20(4)13-19(2,3)23-18-8-6-5-7-17(18)20/h5-12H,13H2,1-4H3 |
| InChIKey |
ANNHUPJJZCHUHP-UHFFFAOYSA-N |
| Molecular Weight |
310.393 g/mol |
| SMILES |
C1(OC2=C(C(C1)(C)C1=CC=C(C=C1)OC(C)=O)C=CC=C2)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962386 |
