| SpectraBase Compound ID | HXx1Py6SQrs |
|---|---|
| InChI | InChI=1S/C12H21NO3/c1-9(12(15)16-2)13-11(14)8-7-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,14) |
| InChIKey | ZUFRPVZUKJBNJQ-UHFFFAOYSA-N |
| Mol Weight | 227.3 g/mol |
| Molecular Formula | C12H21NO3 |
| Exact Mass | 227.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61QABKupYV3 |
|---|---|
| Name | L-Alanine, N-(3-cyclopentylpropionyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.152143537 u |
| Formula | C12H21NO3 |
| InChI | InChI=1S/C12H21NO3/c1-9(12(15)16-2)13-11(14)8-7-10-5-3-4-6-10/h9-10H,3-8H2,1-2H3,(H,13,14) |
| InChIKey | ZUFRPVZUKJBNJQ-UHFFFAOYSA-N |
| Molecular Weight | 227.304 g/mol |
| SMILES | CC(C(OC)=O)NC(=O)CCC1CCCC1 |