| SpectraBase Compound ID | 4M30F5TAJHV |
|---|---|
| InChI | InChI=1S/C23H33N3O8/c1-14(2)19(26-20(28)16(25-23(31)34-5)11-12-18(27)32-3)21(29)24-17(22(30)33-4)13-15-9-7-6-8-10-15/h6-10,14,16-17,19H,11-13H2,1-5H3,(H,24,29)(H,25,31)(H,26,28) |
| InChIKey | VCCIKOYNYARVOB-UHFFFAOYSA-N |
| Mol Weight | 479.5 g/mol |
| Molecular Formula | C23H33N3O8 |
| Exact Mass | 479.226765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88H7R0Qy2ul |
|---|---|
| Name | glu-val-phe, N-(Methoxycarbonyl)-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 479.226765027 u |
| Formula | C23H33N3O8 |
| InChI | InChI=1S/C23H33N3O8/c1-14(2)19(26-20(28)16(25-23(31)34-5)11-12-18(27)32-3)21(29)24-17(22(30)33-4)13-15-9-7-6-8-10-15/h6-10,14,16-17,19H,11-13H2,1-5H3,(H,24,29)(H,25,31)(H,26,28) |
| InChIKey | VCCIKOYNYARVOB-UHFFFAOYSA-N |
| Molecular Weight | 479.530 g/mol |
| SMILES | C(=O)(C(NC(OC)=O)CCC(=O)OC)NC(C(=O)NC(C(=O)OC)CC1=CC=CC=C1)C(C)C |