| SpectraBase Compound ID | FgjUFXVHoo4 |
|---|---|
| InChI | InChI=1S/C13H24O3/c1-2-3-12-16-13(15)10-8-6-4-5-7-9-11-14/h11H,2-10,12H2,1H3 |
| InChIKey | RKCDWVWCNXOCMW-UHFFFAOYSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C13H24O3 |
| Exact Mass | 228.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5lHGSHSJNB1 |
|---|---|
| Name | Azelaaldehydic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.172544630 u |
| Formula | C13H24O3 |
| InChI | InChI=1S/C13H24O3/c1-2-3-12-16-13(15)10-8-6-4-5-7-9-11-14/h11H,2-10,12H2,1H3 |
| InChIKey | RKCDWVWCNXOCMW-UHFFFAOYSA-N |
| Molecular Weight | 228.332 g/mol |
| SMILES | C(C(OCCCC)=O)CCCCCCC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971956 |