| SpectraBase Compound ID | 3cZkeAiA1A2 |
|---|---|
| InChI | InChI=1S/C18H29NO3Si/c1-14(2)11-12-17(20)19-16(18(21)22-23(3,4)5)13-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,19,20) |
| InChIKey | PUQAJJVDCVHGMH-UHFFFAOYSA-N |
| Mol Weight | 335.52 g/mol |
| Molecular Formula | C18H29NO3Si |
| Exact Mass | 335.19167 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B0fhIvf5Y8G |
|---|---|
| Name | N-(4-Methylpentanoyl)phenylalanine, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.191670330 u |
| Formula | C18H29NO3Si |
| InChI | InChI=1S/C18H29NO3Si/c1-14(2)11-12-17(20)19-16(18(21)22-23(3,4)5)13-15-9-7-6-8-10-15/h6-10,14,16H,11-13H2,1-5H3,(H,19,20) |
| InChIKey | PUQAJJVDCVHGMH-UHFFFAOYSA-N |
| Molecular Weight | 335.519 g/mol |
| SMILES | C(C(NC(CCC(C)C)=O)CC1=CC=CC=C1)(=O)O[Si](C)(C)C |