| SpectraBase Spectrum ID |
JFYLNZAqysS |
| Name |
N-Butyryl-phenylalanine methyl ester |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
249.136493473 u |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-3-7-13(16)15-12(14(17)18-2)10-11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10H2,1-2H3,(H,15,16) |
| InChIKey |
RBBWRWZNNKHWQT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
249.310 g/mol |
| Nominal Mass |
249 u |
| Quality |
861 |
| Retention Index |
1898 |
| SMILES |
C(NC(CCC)=O)(CC1=CC=CC=C1)C(OC)=O |
| SPLASH |
splash10-03k9-4900000000-add6ec1f261452496ec2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
l-Phenylalanine,N-butyryl-,methyl ester
methyl 2-(butanoylamino)-3-phenylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002582 |
