| SpectraBase Compound ID | 35w1IKeECwy |
|---|---|
| InChI | InChI=1S/C14H18N2O5/c1-20-13(18)9-16-12(17)7-8-15-14(19)21-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19)(H,16,17) |
| InChIKey | SRTRHRPTDAYVJN-UHFFFAOYSA-N |
| Mol Weight | 294.31 g/mol |
| Molecular Formula | C14H18N2O5 |
| Exact Mass | 294.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BJMnJUqavoU |
|---|---|
| Name | N-Carbobenzyloxy-.beta.-alanyl-glycine methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.121571683 u |
| Formula | C14H18N2O5 |
| InChI | InChI=1S/C14H18N2O5/c1-20-13(18)9-16-12(17)7-8-15-14(19)21-10-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,19)(H,16,17) |
| InChIKey | SRTRHRPTDAYVJN-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)COC(NCCC(NCC(OC)=O)=O)=O |