| SpectraBase Compound ID | HpV8hnFIGDQ |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-2-14(16)9-8-13(11-15)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3 |
| InChIKey | ISCOOQGMHOKXLJ-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7GKwed0DSce |
|---|---|
| Name | 2-Benzyl-5-oxoheptanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-2-14(16)9-8-13(11-15)10-12-6-4-3-5-7-12/h3-7,11,13H,2,8-10H2,1H3 |
| InChIKey | ISCOOQGMHOKXLJ-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(C(CCC(CC)=O)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9535 |