| SpectraBase Compound ID | 2Mt5G4gJI8y |
|---|---|
| InChI | InChI=1S/C12H24ClNO2/c1-2-3-4-5-6-7-10-14-12(15)16-11-8-9-13/h2-11H2,1H3,(H,14,15) |
| InChIKey | WTOLYDODGLSBJX-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 | 3oEVEHbC25L |
|---|---|
| Name | Carbonic acid, monoamide, N-octyl-, 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/c1-2-3-4-5-6-7-10-14-12(15)16-11-8-9-13/h2-11H2,1H3,(H,14,15) |
| InChIKey | WTOLYDODGLSBJX-UHFFFAOYSA-N |
| Molecular Weight | 249.782 g/mol |
| SMILES | C(CCNC(OCCCCl)=O)CCCCC |