| SpectraBase Compound ID | AX9ZUCghRRp |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-4-5-10-13(14)15-11-8-6-7-9-12(2)3/h7,9,12H,4-6,8,10-11H2,1-3H3/b9-7+ |
| InChIKey | GSZZRNCIEMCQMD-VQHVLOKHSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 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 | 7mcTp8MAd2y |
|---|---|
| Name | 6-Methyl-4-heptenyl pentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-4-5-10-13(14)15-11-8-6-7-9-12(2)3/h7,9,12H,4-6,8,10-11H2,1-3H3/b9-7+ |
| InChIKey | GSZZRNCIEMCQMD-VQHVLOKHSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(CCCC)(=O)OCCC\C=C\C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977212 |