| SpectraBase Spectrum ID |
I8ZpeYDFxoH |
| Name |
2-(2-Tert-butoxycarbonylamino-acetylamino)-3-phenyl-propionic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.168521876 u |
| Formula |
C17H24N2O5 |
| InChI |
InChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)18-11-14(20)19-13(15(21)23-4)10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,18,22)(H,19,20) |
| InChIKey |
GKBKUHWHMQTUNA-UHFFFAOYSA-N |
| Molecular Weight |
336.388 g/mol |
| SMILES |
C(NCC(NC(C(=O)OC)CC1=CC=CC=C1)=O)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91143 |
