![N-[(E)-but-2-enyl]-N-(3-chloropropyl)carbamic acid tert-butyl ester](/api/spectrum/CBvvx3bBSnR/structure.png?h=300&w=458 "N-[(E)-but-2-enyl]-N-(3-chloropropyl)carbamic acid tert-butyl ester")
| SpectraBase Compound ID | LLrbqcJqH21 |
|---|---|
| InChI | InChI=1S/C12H22ClNO2/c1-5-6-9-14(10-7-8-13)11(15)16-12(2,3)4/h5-6H,7-10H2,1-4H3/b6-5+ |
| InChIKey | CVRDVHIRHHRDPV-AATRIKPKSA-N |
| Mol Weight | 247.77 g/mol |
| Molecular Formula | C12H22ClNO2 |
| Exact Mass | 247.133907 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBvvx3bBSnR |
|---|---|
| Name | N-[(E)-but-2-Enyl]-N-(3-chloropropyl)carbamic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.133906650 u |
| Formula | C12H22ClNO2 |
| InChI | InChI=1S/C12H22ClNO2/c1-5-6-9-14(10-7-8-13)11(15)16-12(2,3)4/h5-6H,7-10H2,1-4H3/b6-5+ |
| InChIKey | CVRDVHIRHHRDPV-AATRIKPKSA-N |
| Molecular Weight | 247.766 g/mol |
| SMILES | C(N(C\C=C\C)C(=O)OC(C)(C)C)CCCl |