| SpectraBase Compound ID | 4qvsC0W79Du |
|---|---|
| InChI | InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3-15H2,1-2H3 |
| InChIKey | RDOSVFWJFQNBEL-UHFFFAOYSA-N |
| Mol Weight | 256.4 g/mol |
| Molecular Formula | C16H32O2 |
| Exact Mass | 256.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7a6oYHnhKDs |
|---|---|
| Name | Undecanoic acid, pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.240230268 u |
| Formula | C16H32O2 |
| InChI | InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-14-16(17)18-15-13-6-4-2/h3-15H2,1-2H3 |
| InChIKey | RDOSVFWJFQNBEL-UHFFFAOYSA-N |
| Molecular Weight | 256.430 g/mol |
| SMILES | C(CCC(OCCCCC)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959981 |