| SpectraBase Spectrum ID |
IcAGNExNLGj |
| Name |
3-Hexenoic acid, 4-methyl-6-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-12(8-10-15(17)18)7-9-14-13(2)6-5-11-16(14,3)4/h8H,5-7,9-11H2,1-4H3,(H,17,18)/b12-8+ |
| InChIKey |
NFCYFVXXVNLXQW-XYOKQWHBSA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
OC(C\C=C\(CCC=1C(CCCC1C)(C)C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.926887 |
