| SpectraBase Compound ID | 8t2FTYWnqUc |
|---|---|
| InChI | InChI=1S/C15H22N2O2/c1-3-4-6-11-14(18)16-12(2)15(19)17-13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3,(H,16,18)(H,17,19) |
| InChIKey | ASFZAXAHSJKHHX-UHFFFAOYSA-N |
| Mol Weight | 262.35 g/mol |
| Molecular Formula | C15H22N2O2 |
| Exact Mass | 262.168128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvygJ4BsMGD |
|---|---|
| Name | N-Hexanoyl-L-alanine anilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.168127954 u |
| Formula | C15H22N2O2 |
| InChI | InChI=1S/C15H22N2O2/c1-3-4-6-11-14(18)16-12(2)15(19)17-13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3,(H,16,18)(H,17,19) |
| InChIKey | ASFZAXAHSJKHHX-UHFFFAOYSA-N |
| Molecular Weight | 262.353 g/mol |
| SMILES | C1=C(C=CC=C1)NC(=O)C(NC(CCCCC)=O)C |