| SpectraBase Compound ID | 1za53hXVR0q |
|---|---|
| InChI | InChI=1S/C15H30O2/c1-4-7-9-10-13-15(16)17-14(11-6-3)12-8-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | HPZVCQFLFITVLM-UHFFFAOYSA-N |
| Mol Weight | 242.4 g/mol |
| Molecular Formula | C15H30O2 |
| Exact Mass | 242.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3Jzrn3thKrZ |
|---|---|
| Name | Heptanoic acid, 4-octyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.224580204 u |
| Formula | C15H30O2 |
| InChI | InChI=1S/C15H30O2/c1-4-7-9-10-13-15(16)17-14(11-6-3)12-8-5-2/h14H,4-13H2,1-3H3 |
| InChIKey | HPZVCQFLFITVLM-UHFFFAOYSA-N |
| Molecular Weight | 242.403 g/mol |
| SMILES | C(CC(CCC)OC(=O)CCCCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983025 |