| SpectraBase Compound ID | 9eFIFFsgeul |
|---|---|
| InChI | InChI=1S/C17H32O2/c1-3-5-7-8-9-10-11-12-14-16-19-17(18)15-13-6-4-2/h12,14H,3-11,13,15-16H2,1-2H3/b14-12+ |
| InChIKey | BBEHOLOWRKSKSP-WYMLVPIESA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C17H32O2 |
| Exact Mass | 268.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EqPf3KTrKBe |
|---|---|
| Name | Hexanoic acid, undec-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.240230268 u |
| Formula | C17H32O2 |
| InChI | InChI=1S/C17H32O2/c1-3-5-7-8-9-10-11-12-14-16-19-17(18)15-13-6-4-2/h12,14H,3-11,13,15-16H2,1-2H3/b14-12+ |
| InChIKey | BBEHOLOWRKSKSP-WYMLVPIESA-N |
| SMILES | CCCCCC(=O)OC\C=C\CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979958 |