![N-[2-(Benzoylamino)propanoyl]alanine, tms](/api/spectrum/INFuViF8blo/structure.png?h=300&w=458 "N-[2-(Benzoylamino)propanoyl]alanine, tms")
| SpectraBase Compound ID | 61oyjLQ5SBM |
|---|---|
| InChI | InChI=1S/C16H24N2O4Si/c1-11(17-15(20)13-9-7-6-8-10-13)14(19)18-12(2)16(21)22-23(3,4)5/h6-12H,1-5H3,(H,17,20)(H,18,19) |
| InChIKey | GEFLJAGWJWJVNP-UHFFFAOYSA-N |
| Mol Weight | 336.46 g/mol |
| Molecular Formula | C16H24N2O4Si |
| Exact Mass | 336.150534 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | INFuViF8blo |
|---|---|
| Name | N-[2-(Benzoylamino)propanoyl]alanine, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.150533792 u |
| Formula | C16H24N2O4Si |
| InChI | InChI=1S/C16H24N2O4Si/c1-11(17-15(20)13-9-7-6-8-10-13)14(19)18-12(2)16(21)22-23(3,4)5/h6-12H,1-5H3,(H,17,20)(H,18,19) |
| InChIKey | GEFLJAGWJWJVNP-UHFFFAOYSA-N |
| Molecular Weight | 336.463 g/mol |
| SMILES | C(NC(=O)C(NC(=O)C1=CC=CC=C1)C)(C)C(=O)O[Si](C)(C)C |