| SpectraBase Compound ID | 1tYPxCQLGcf |
|---|---|
| InChI | InChI=1S/C9H18ClNO2/c1-2-3-4-7-11-9(12)13-8-5-6-10/h2-8H2,1H3,(H,11,12) |
| InChIKey | PMIVKTINYHLEEG-UHFFFAOYSA-N |
| Mol Weight | 207.7 g/mol |
| Molecular Formula | C9H18ClNO2 |
| Exact Mass | 207.102607 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDjtjDbBr3p |
|---|---|
| Name | Carbonic acid, monoamide, N-pentyl-, 3-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.102606522 u |
| Formula | C9H18ClNO2 |
| InChI | InChI=1S/C9H18ClNO2/c1-2-3-4-7-11-9(12)13-8-5-6-10/h2-8H2,1H3,(H,11,12) |
| InChIKey | PMIVKTINYHLEEG-UHFFFAOYSA-N |
| Molecular Weight | 207.701 g/mol |
| SMILES | C(CCNC(OCCCCl)=O)CC |