| SpectraBase Spectrum ID |
AQnue2PS6pI |
| Name |
(E,E,E)-2,5,8-Trimethyl-6-methoxy-2-(4',8',12'-trimethyl-3',7',11'-tridecatrienyl)chroman |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.334130655 u |
| Formula |
C29H44O2 |
| InChI |
InChI=1S/C29H44O2/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-29(7)19-17-26-25(6)27(30-8)20-24(5)28(26)31-29/h12,14,16,20H,9-11,13,15,17-19H2,1-8H3/b22-14+,23-16+ |
| InChIKey |
MTGHTKWQBDGLJZ-SUMSNFAJSA-N |
| Molecular Weight |
424.669 g/mol |
| SMILES |
C12=C(C(C)=C(C=C2C)OC)CCC(O1)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850185 |
