| SpectraBase Compound ID | 1oSvD5WE0qY |
|---|---|
| InChI | InChI=1S/C9H16O/c1-4-5-6-7-9(2,3)8-10/h5-6,8H,4,7H2,1-3H3/b6-5+ |
| InChIKey | RNRXOJVNGVIIBM-AATRIKPKSA-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 | CiLXqH6zCx2 |
|---|---|
| Name | Trans-2,2-dimethyl-4-heptenal |
| 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/c1-4-5-6-7-9(2,3)8-10/h5-6,8H,4,7H2,1-3H3/b6-5+ |
| InChIKey | RNRXOJVNGVIIBM-AATRIKPKSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(\C=C\CC)C(C=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985791 |