| SpectraBase Compound ID | 1vvxkqDTZ86 |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-4-6-7-8-9-11-15-13(14)12(3)10-5-2/h5,12H,2,4,6-11H2,1,3H3 |
| InChIKey | YYWMOBAOYMHVJR-UHFFFAOYSA-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 | AI5LzGrn5OC |
|---|---|
| Name | 4-Pentenoic acid, 2-methyl-, heptyl ester |
| 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/c1-4-6-7-8-9-11-15-13(14)12(3)10-5-2/h5,12H,2,4,6-11H2,1,3H3 |
| InChIKey | YYWMOBAOYMHVJR-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931867 |