| SpectraBase Spectrum ID |
CUWLijrWL6j |
| Name |
4-Cyclohepten-1-one, 3,3-dimethyl-6-(1-methylethenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c1-9(2)10-5-6-12(3,4)8-11(13)7-10/h5-6,10H,1,7-8H2,2-4H3 |
| InChIKey |
KBIYBBVFKDOSMN-UHFFFAOYSA-N |
| Molecular Weight |
178.275 g/mol |
| SMILES |
C=1C(C(=C)C)CC(=O)CC(C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97859 |
