| SpectraBase Spectrum ID |
7GHnKrnCVLl |
| Name |
1,4-Cyclohexadiene, 1-methoxy-4-[(2,6,6-trimethyl-1-cyclohexen-1-yl)methyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.198365456 u |
| Formula |
C17H26O |
| InChI |
InChI=1S/C17H26O/c1-13-6-5-11-17(2,3)16(13)12-14-7-9-15(18-4)10-8-14/h7,10H,5-6,8-9,11-12H2,1-4H3 |
| InChIKey |
YUKFWGBZUDNLDQ-UHFFFAOYSA-N |
| Molecular Weight |
246.394 g/mol |
| SMILES |
C1(=C(CCCC1(C)C)C)CC1=CCC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847884 |
![1,4-Cyclohexadiene, 1-methoxy-4-[(2,6,6-trimethyl-1-cyclohexen-1-yl)methyl]-](/api/spectrum/7GHnKrnCVLl/structure.png?h=300&w=458 "1,4-Cyclohexadiene, 1-methoxy-4-[(2,6,6-trimethyl-1-cyclohexen-1-yl)methyl]-")
