| SpectraBase Spectrum ID |
9yABqEap1Io |
| Name |
3,5-di-Tert-butyl-2-6-bis-(3',4'-methylene-dioxyphenyl)-phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.209324061 u |
| Formula |
C28H30O5 |
| InChI |
InChI=1S/C28H30O5/c1-27(2,3)18-13-19(28(4,5)6)25(17-8-10-21-23(12-17)33-15-31-21)26(29)24(18)16-7-9-20-22(11-16)32-14-30-20/h7-13,29H,14-15H2,1-6H3 |
| InChIKey |
KOPUXVIWTKSESC-UHFFFAOYSA-N |
| Molecular Weight |
446.543 g/mol |
| SMILES |
C1(O)=C(C2=CC=3OCOC3C=C2)C(C(C)(C)C)=CC(C(C)(C)C)=C1C1=CC=2OCOC2C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836472 |
