| SpectraBase Compound ID | CMtZiKq7Rgg |
|---|---|
| InChI | InChI=1S/C11H22ClNO2/c1-2-3-4-5-6-9-13-11(14)15-10-7-8-12/h2-10H2,1H3,(H,13,14) |
| InChIKey | NJKJSHKZMAULCO-UHFFFAOYSA-N |
| Mol Weight | 235.75 g/mol |
| Molecular Formula | C11H22ClNO2 |
| Exact Mass | 235.133907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Xz1TAz2kux |
|---|---|
| Name | Carbonic acid, monoamide, N-heptyl-, 3-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.133906650 u |
| Formula | C11H22ClNO2 |
| InChI | InChI=1S/C11H22ClNO2/c1-2-3-4-5-6-9-13-11(14)15-10-7-8-12/h2-10H2,1H3,(H,13,14) |
| InChIKey | NJKJSHKZMAULCO-UHFFFAOYSA-N |
| Molecular Weight | 235.755 g/mol |
| SMILES | C(CCNC(OCCCCl)=O)CCCC |