| SpectraBase Compound ID | LMeINEofPiX |
|---|---|
| InChI | InChI=1S/C11H21ClO3/c1-2-3-9-14-11(13)15-10-7-5-4-6-8-12/h2-10H2,1H3 |
| InChIKey | WRPQAAJDCMZPRD-UHFFFAOYSA-N |
| Mol Weight | 236.74 g/mol |
| Molecular Formula | C11H21ClO3 |
| Exact Mass | 236.117922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BLgY1HEfyT9 |
|---|---|
| Name | Carbonic acid, butyl 6-chlorohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.117922233 u |
| Formula | C11H21ClO3 |
| InChI | InChI=1S/C11H21ClO3/c1-2-3-9-14-11(13)15-10-7-5-4-6-8-12/h2-10H2,1H3 |
| InChIKey | WRPQAAJDCMZPRD-UHFFFAOYSA-N |
| Molecular Weight | 236.739 g/mol |
| SMILES | C(OCCCC)(=O)OCCCCCCCl |