| SpectraBase Compound ID | Fq3GaUEm9IC |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-7-4-5-11-9(2,3)6-8(7)10/h7H,4-6H2,1-3H3 |
| InChIKey | BNRJXRQVEQZRPI-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 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 | 8p197v3Tys8 |
|---|---|
| Name | 2,2,5-Trimethyloxepan-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-7-4-5-11-9(2,3)6-8(7)10/h7H,4-6H2,1-3H3 |
| InChIKey | BNRJXRQVEQZRPI-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C1(OCCC(C(C1)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988805 |