| SpectraBase Compound ID | GszjQK67F2J |
|---|---|
| InChI | InChI=1S/C16H16N2O7/c1-8(16(24)25)17-12(19)6-9(7-13(20)21)18-14(22)10-4-2-3-5-11(10)15(18)23/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,20,21)(H,24,25)/t8-,9-/m0/s1 |
| InChIKey | MMHLKZZEEMBXSB-IUCAKERBSA-N |
| Mol Weight | 348.31 g/mol |
| Molecular Formula | C16H16N2O7 |
| Exact Mass | 348.095751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5QLlUkMJhJK |
|---|---|
| Name | (3S)-3-Phthalimidoglutaryl-(S)-alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.095750856 u |
| Formula | C16H16N2O7 |
| InChI | InChI=1S/C16H16N2O7/c1-8(16(24)25)17-12(19)6-9(7-13(20)21)18-14(22)10-4-2-3-5-11(10)15(18)23/h2-5,8-9H,6-7H2,1H3,(H,17,19)(H,20,21)(H,24,25)/t8-,9-/m0/s1 |
| InChIKey | MMHLKZZEEMBXSB-IUCAKERBSA-N |
| Molecular Weight | 348.311 g/mol |
| SMILES | C1(N(C(C=2C=CC=CC12)=O)[C@@](CC(N[C@](C(=O)O)(C)[H])=O)(CC(=O)O)[H])=O |