| SpectraBase Spectrum ID |
4ixG6nXqjjW |
| Name |
2-Cyclohexen-1-ol, 2,4,4-trimethyl-3-(3-methyl-1,3-butadienyl)-, acetate, (E)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.177630011 u |
| Formula |
C16H24O2 |
| InChI |
InChI=1S/C16H24O2/c1-11(2)7-8-14-12(3)15(18-13(4)17)9-10-16(14,5)6/h7-8,15H,1,9-10H2,2-6H3/b8-7+ |
| InChIKey |
BFVHHRPFURBQQT-BQYQJAHWSA-N |
| Molecular Weight |
248.366 g/mol |
| SMILES |
C1(=C(C(OC(=O)C)CCC1(C)C)C)\C=C\C(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890443 |
