| SpectraBase Compound ID | 9vpLv4CQq0E |
|---|---|
| InChI | InChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h9,12H,2-8,10-11,13-15H2,1H3/b12-9+ |
| InChIKey | MMBYQPWSFIURFR-FMIVXFBMSA-N |
| Mol Weight | 288.86 g/mol |
| Molecular Formula | C16H29ClO2 |
| Exact Mass | 288.185608 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B5bU8b8pFxH |
|---|---|
| Name | 5-Chlorovaleric 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 | 288.185607872 u |
| Formula | C16H29ClO2 |
| InChI | InChI=1S/C16H29ClO2/c1-2-3-4-5-6-7-8-9-12-15-19-16(18)13-10-11-14-17/h9,12H,2-8,10-11,13-15H2,1H3/b12-9+ |
| InChIKey | MMBYQPWSFIURFR-FMIVXFBMSA-N |
| SMILES | C(=O)(OC\C=C\CCCCCCCC)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982894 |