| SpectraBase Compound ID | IM7S3FwkgNF |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-3-4-5-6-7-8-13(14)15-10-12-9-11(12)2/h11-12H,3-10H2,1-2H3 |
| InChIKey | IMQPZZLAAVGTKU-UHFFFAOYSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J4Oc2K3l6dH |
|---|---|
| Name | (2-Methylcyclopropyl)methyl octanoate |
| 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/c1-3-4-5-6-7-8-13(14)15-10-12-9-11(12)2/h11-12H,3-10H2,1-2H3 |
| InChIKey | IMQPZZLAAVGTKU-UHFFFAOYSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C1(CC1COC(CCCCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989851 |