| SpectraBase Compound ID | 7npfXAzfM1y |
|---|---|
| InChI | InChI=1S/C9H16O/c1-7(2)8(3)5-6-9(4)10/h5-8H,1-4H3/b6-5+/t8-/m0/s1 |
| InChIKey | LJNTUYJXRDIJIV-GJIOHYHPSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 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 | 1U0THBLobzX |
|---|---|
| Name | (-)-(5R,3E)- 5,6-dimethyl-hept-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-7(2)8(3)5-6-9(4)10/h5-8H,1-4H3/b6-5+/t8-/m0/s1 |
| InChIKey | LJNTUYJXRDIJIV-GJIOHYHPSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | CC(\C=C\[C@@](C(C)C)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967074 |