| SpectraBase Compound ID | rrPIeFGV2i |
|---|---|
| InChI | InChI=1S/C12H24ClNO2/c1-4-8-14(9-6-11(2)3)12(15)16-10-5-7-13/h11H,4-10H2,1-3H3 |
| InChIKey | ONZPYVUMFRBIBT-UHFFFAOYSA-N |
| Mol Weight | 249.78 g/mol |
| Molecular Formula | C12H24ClNO2 |
| Exact Mass | 249.149557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1ktjxtXbKf |
|---|---|
| Name | Carbonic acid, monoamide, N-propyl-N-(3-methylbutyl)-, 3-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.149556715 u |
| Formula | C12H24ClNO2 |
| InChI | InChI=1S/C12H24ClNO2/c1-4-8-14(9-6-11(2)3)12(15)16-10-5-7-13/h11H,4-10H2,1-3H3 |
| InChIKey | ONZPYVUMFRBIBT-UHFFFAOYSA-N |
| Molecular Weight | 249.782 g/mol |
| SMILES | C(=O)(OCCCCl)N(CCC)CCC(C)C |