| SpectraBase Compound ID | L0z5BFYV10n |
|---|---|
| InChI | InChI=1S/C22H24N2O7/c25-19(26)12-11-17(24-22(30)31-14-16-9-5-2-6-10-16)20(27)23-18(21(28)29)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29) |
| InChIKey | ZORDBMVWKMEZAC-UHFFFAOYSA-N |
| Mol Weight | 428.44 g/mol |
| Molecular Formula | C22H24N2O7 |
| Exact Mass | 428.158351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcK9kaMTzVR |
|---|---|
| Name | L-4-(Carboxyamino)-N-(alpha-carboxyphenethyl)glutaramic acid, 4-benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.158351114 u |
| Formula | C22H24N2O7 |
| InChI | InChI=1S/C22H24N2O7/c25-19(26)12-11-17(24-22(30)31-14-16-9-5-2-6-10-16)20(27)23-18(21(28)29)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29) |
| InChIKey | ZORDBMVWKMEZAC-UHFFFAOYSA-N |
| Molecular Weight | 428.441 g/mol |
| SMILES | OC(C(NC(C(CCC(O)=O)NC(=O)OCC=1C=CC=CC1)=O)CC=1C=CC=CC1)=O |