| SpectraBase Compound ID | 3Vwm4GddGU0 |
|---|---|
| InChI | InChI=1S/C17H36O2/c1-6-7-8-9-10-17(18-13-11-15(2)3)19-14-12-16(4)5/h15-17H,6-14H2,1-5H3 |
| InChIKey | FCNZGZQLIKHVGP-UHFFFAOYSA-N |
| Mol Weight | 272.5 g/mol |
| Molecular Formula | C17H36O2 |
| Exact Mass | 272.27153 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Boi4ajZN936 |
|---|---|
| Name | Heptanal diisopentyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.271530397 u |
| Formula | C17H36O2 |
| InChI | InChI=1S/C17H36O2/c1-6-7-8-9-10-17(18-13-11-15(2)3)19-14-12-16(4)5/h15-17H,6-14H2,1-5H3 |
| InChIKey | FCNZGZQLIKHVGP-UHFFFAOYSA-N |
| Molecular Weight | 272.473 g/mol |
| SMILES | C(CCCCCC)(OCCC(C)C)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90376 |