| SpectraBase Compound ID | 3Rgap2LcWtP |
|---|---|
| InChI | InChI=1S/C12H21NO2/c1-3-15-12(14)9-10(2)13-11-7-5-4-6-8-11/h9,11,13H,3-8H2,1-2H3/b10-9- |
| InChIKey | PFMZXZYYDKQAOO-KTKRTIGZSA-N |
| Mol Weight | 211.3 g/mol |
| Molecular Formula | C12H21NO2 |
| Exact Mass | 211.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JQvfQocsGig |
|---|---|
| Name | (Z)-3-(Cyclohexylamino)-2-butenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.157228918 u |
| Formula | C12H21NO2 |
| InChI | InChI=1S/C12H21NO2/c1-3-15-12(14)9-10(2)13-11-7-5-4-6-8-11/h9,11,13H,3-8H2,1-2H3/b10-9- |
| InChIKey | PFMZXZYYDKQAOO-KTKRTIGZSA-N |
| Molecular Weight | 211.305 g/mol |
| SMILES | C(\C=C\(C)NC1CCCCC1)(=O)OCC |