| SpectraBase Compound ID | BRaVJXSQ5e5 |
|---|---|
| InChI | InChI=1S/C10H20O/c1-4-5-6-10(7-8-11)9(2)3/h8-10H,4-7H2,1-3H3 |
| InChIKey | LQMNFUFORLDZTO-UHFFFAOYSA-N |
| Mol Weight | 156.27 g/mol |
| Molecular Formula | C10H20O |
| Exact Mass | 156.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jc2hh3GJjQ5 |
|---|---|
| Name | 3-Isopropylheptanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.151415263 u |
| Formula | C10H20O |
| InChI | InChI=1S/C10H20O/c1-4-5-6-10(7-8-11)9(2)3/h8-10H,4-7H2,1-3H3 |
| InChIKey | LQMNFUFORLDZTO-UHFFFAOYSA-N |
| Molecular Weight | 156.269 g/mol |
| SMILES | C(=O)CC(C(C)C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960068 |