| SpectraBase Compound ID | 5El3Gq435OF |
|---|---|
| InChI | InChI=1S/C11H21ClO2/c1-2-3-10-14-11(13)8-6-4-5-7-9-12/h2-10H2,1H3 |
| InChIKey | MRPIXRWJFFQGCB-UHFFFAOYSA-N |
| Mol Weight | 220.74 g/mol |
| Molecular Formula | C11H21ClO2 |
| Exact Mass | 220.123008 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FbGXMovBaXF |
|---|---|
| Name | Butyl 7-chloroheptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.123007614 u |
| Formula | C11H21ClO2 |
| InChI | InChI=1S/C11H21ClO2/c1-2-3-10-14-11(13)8-6-4-5-7-9-12/h2-10H2,1H3 |
| InChIKey | MRPIXRWJFFQGCB-UHFFFAOYSA-N |
| Molecular Weight | 220.740 g/mol |
| SMILES | C(=O)(OCCCC)CCCCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929226 |