| SpectraBase Compound ID | FKtRI7MjqSS |
|---|---|
| InChI | InChI=1S/C10H18O/c1-9(2)10(3)7-5-4-6-8-11/h8H,4-7H2,1-3H3 |
| InChIKey | MRGWWLYBEFXMQV-UHFFFAOYSA-N |
| Mol Weight | 154.25 g/mol |
| Molecular Formula | C10H18O |
| Exact Mass | 154.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8RS7NTIkM74 |
|---|---|
| Name | 6-Octenal, 6,7-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.135765199 u |
| Formula | C10H18O |
| InChI | InChI=1S/C10H18O/c1-9(2)10(3)7-5-4-6-8-11/h8H,4-7H2,1-3H3 |
| InChIKey | MRGWWLYBEFXMQV-UHFFFAOYSA-N |
| Molecular Weight | 154.253 g/mol |
| SMILES | C(=C(CCCCC=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976755 |