| SpectraBase Compound ID | L2eDPARh5sH |
|---|---|
| InChI | InChI=1S/C12H24O3/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13/h13H,2-11H2,1H3 |
| InChIKey | XLQUPINCSVNJNL-UHFFFAOYSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C12H24O3 |
| Exact Mass | 216.172545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4VZM7jtMrag |
|---|---|
| Name | N-Hexyl 6-hydroxycaproate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.172544630 u |
| Formula | C12H24O3 |
| InChI | InChI=1S/C12H24O3/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13/h13H,2-11H2,1H3 |
| InChIKey | XLQUPINCSVNJNL-UHFFFAOYSA-N |
| Molecular Weight | 216.321 g/mol |
| SMILES | C(=O)(OCCCCCC)CCCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94544 |