| SpectraBase Spectrum ID |
KXqmlLVavPm |
| Name |
(3E)-3-Methyl-6-(2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl)hex-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.182715392 u |
| Formula |
C16H24O |
| InChI |
InChI=1S/C16H24O/c1-11(13(3)17)6-5-9-16(4)12(2)14-7-8-15(16)10-14/h6,14-15H,2,5,7-10H2,1,3-4H3/b11-6+/t14-,15+,16+/m1/s1 |
| InChIKey |
OKSXRLDWLJEAEL-FHJRIEEJSA-N |
| Molecular Weight |
232.367 g/mol |
| SMILES |
C1C[C@]2(C[C@@]1(C(=C)[C@@]2(CC\C=C\(C(=O)C)C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86429 |
![(3E)-3-Methyl-6-(2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl)hex-3-en-2-one](/api/spectrum/KXqmlLVavPm/structure.png?h=300&w=458 "(3E)-3-Methyl-6-(2-methyl-3-methylidenebicyclo[2.2.1]hept-2-yl)hex-3-en-2-one")
