![(2R)-[(4-chlorobenzyl)amino]-1-butanol, N,o-bis-acetyl](/api/spectrum/3eRjaG3nYKY/structure.png?h=300&w=458 "(2R)-[(4-chlorobenzyl)amino]-1-butanol, N,o-bis-acetyl")
| SpectraBase Compound ID | KiEUf6z7Jye |
|---|---|
| InChI | InChI=1S/C15H20ClNO3/c1-4-15(10-20-12(3)19)17(11(2)18)9-13-5-7-14(16)8-6-13/h5-8,15H,4,9-10H2,1-3H3/t15-/m1/s1 |
| InChIKey | AQOMQRQHQOCGKD-OAHLLOKOSA-N |
| Mol Weight | 297.78 g/mol |
| Molecular Formula | C15H20ClNO3 |
| Exact Mass | 297.113171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eRjaG3nYKY |
|---|---|
| Name | (2R)-[(4-chlorobenzyl)amino]-1-butanol, N,o-bis-acetyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.113171205 u |
| Formula | C15H20ClNO3 |
| InChI | InChI=1S/C15H20ClNO3/c1-4-15(10-20-12(3)19)17(11(2)18)9-13-5-7-14(16)8-6-13/h5-8,15H,4,9-10H2,1-3H3/t15-/m1/s1 |
| InChIKey | AQOMQRQHQOCGKD-OAHLLOKOSA-N |
| Molecular Weight | 297.782 g/mol |
| SMILES | C([C@](N(CC1=CC=C(C=C1)Cl)C(C)=O)(CC)[H])OC(=O)C |