| SpectraBase Compound ID | AJI7Ph5bfan |
|---|---|
| InChI | InChI=1S/C10H18N2O5/c1-6(2)17-10(15)11-5-8(13)12-7(3)9(14)16-4/h6-7H,5H2,1-4H3,(H,11,15)(H,12,13)/t7-/m0/s1 |
| InChIKey | NFMJANCRLKIWRU-ZETCQYMHSA-N |
| Mol Weight | 246.26 g/mol |
| Molecular Formula | C10H18N2O5 |
| Exact Mass | 246.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhaAfluiV6p |
|---|---|
| Name | gly-L-ala, N-Isopropyloxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.121571683 u |
| Formula | C10H18N2O5 |
| InChI | InChI=1S/C10H18N2O5/c1-6(2)17-10(15)11-5-8(13)12-7(3)9(14)16-4/h6-7H,5H2,1-4H3,(H,11,15)(H,12,13)/t7-/m0/s1 |
| InChIKey | NFMJANCRLKIWRU-ZETCQYMHSA-N |
| Molecular Weight | 246.263 g/mol |
| SMILES | [C@](NC(CNC(OC(C)C)=O)=O)(C(OC)=O)(C)[H] |