| SpectraBase Compound ID | HjEdZW1Jap7 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-7(2)6-8(11)9(12)10(3,4)5/h6,9,12H,1-5H3 |
| InChIKey | PDCPZYAJTWBJMY-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DZZ0LfXEkeh |
|---|---|
| Name | 2,6,6-Trimethyl-5-oxidanyl-hept-2-en-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-7(2)6-8(11)9(12)10(3,4)5/h6,9,12H,1-5H3 |
| InChIKey | PDCPZYAJTWBJMY-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(C=C(C)C)(C(C(C)(C)C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938674 |