| SpectraBase Spectrum ID |
19xfTT3bcsd |
| Name |
2,6-di-Tert-butyl-4-methoxymethyl-4-(3,5-di-tert-butyl-4-hydroxyphenyl)-2,5-cyclohexadien-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.344695338 u |
| Formula |
C30H46O3 |
| InChI |
InChI=1S/C30H46O3/c1-26(2,3)20-14-19(15-21(24(20)31)27(4,5)6)30(18-33-13)16-22(28(7,8)9)25(32)23(17-30)29(10,11)12/h14-17,31H,18H2,1-13H3 |
| InChIKey |
PCTQMMYRHJRFEU-UHFFFAOYSA-N |
| Molecular Weight |
454.695 g/mol |
| SMILES |
C=1(C(C(C(C)(C)C)=CC(C1)(C=1C=C(C(C)(C)C)C(=C(C1)C(C)(C)C)O)COC)=O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921438 |
