| SpectraBase Spectrum ID |
2qhuKTWH9jd |
| Name |
2-[(2E,6E)-3,7-Dimethyl-9-[(1S,6R)-1,2,6-trimethylcyclohexe-2-enyl]nona-2,6-dienyloxy]tetrahydro-2H-pyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.318480590 u |
| Formula |
C25H42O2 |
| InChI |
InChI=1S/C25H42O2/c1-20(15-17-25(5)22(3)12-9-13-23(25)4)10-8-11-21(2)16-19-27-24-14-6-7-18-26-24/h10,12,16,23-24H,6-9,11,13-15,17-19H2,1-5H3/b20-10+,21-16+/t23-,24?,25-/m0/s1 |
| InChIKey |
PMFISZSKAVYSML-UNVJAKRJSA-N |
| Molecular Weight |
374.609 g/mol |
| SMILES |
[C@]1(C(=CCC[C@@]1(C)[H])C)(CC\C(=C\CC\C(=C\COC1OCCCC1)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973222 |
![2-[(2E,6E)-3,7-Dimethyl-9-[(1S,6R)-1,2,6-trimethylcyclohexe-2-enyl]nona-2,6-dienyloxy]tetrahydro-2H-pyran](/api/spectrum/2qhuKTWH9jd/structure.png?h=300&w=458 "2-[(2E,6E)-3,7-Dimethyl-9-[(1S,6R)-1,2,6-trimethylcyclohexe-2-enyl]nona-2,6-dienyloxy]tetrahydro-2H-pyran")
