| SpectraBase Spectrum ID |
DlBSwAhjNwG |
| Name |
N-Isovaleryl-phenylalanine methyl ester |
| CAS Registry Number |
118387-67-0 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
263.152143537 u |
| Formula |
C15H21NO3 |
| InChI |
InChI=1S/C15H21NO3/c1-11(2)9-14(17)16-13(15(18)19-3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,17) |
| InChIKey |
ISJVRGWTEXYFJC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
263.337 g/mol |
| Nominal Mass |
263 u |
| Quality |
835 |
| Retention Index |
1998 |
| SMILES |
C(NC(CC(C)C)=O)(CC1=CC=CC=C1)C(OC)=O |
| SPLASH |
splash10-03dr-6900000000-93ea1c956dada99b97b9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-((3-methylbutanoyl)amino)-3-phenylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005302 |
