| SpectraBase Spectrum ID |
BfnfKhfhabK |
| Name |
4-Phenanthrenol, 1,3,6,8-tetrakis(1,1-dimethylethyl)-5-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.334130655 u |
| Formula |
C31H44O2 |
| InChI |
InChI=1S/C31H44O2/c1-28(2,3)20-16-22(30(7,8)9)26(32)24-18(20)14-15-19-21(29(4,5)6)17-23(31(10,11)12)27(33-13)25(19)24/h14-17,32H,1-13H3 |
| InChIKey |
FLNOIHPBBVIKJW-UHFFFAOYSA-N |
| Molecular Weight |
448.691 g/mol |
| SMILES |
C1=2C=3C(=C(C(C)(C)C)C=C(C3OC)C(C)(C)C)C=CC1=C(C(C)(C)C)C=C(C2O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94539 |
