| SpectraBase Spectrum ID |
5VAim7Ahhaq |
| Name |
N-Acetyl-1-phenylalanine methyl ester |
| CAS Registry Number |
3618-96-0 |
| 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 |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-9(14)13-11(8-12(15)16-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14) |
| InChIKey |
KAZREVDICMUGDL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
221.256 g/mol |
| Nominal Mass |
221 u |
| Quality |
830 |
| Retention Index |
1697 |
| SMILES |
C(C1=CC=CC=C1)(NC(=O)C)CC(OC)=O |
| SPLASH |
splash10-03di-4900000000-c69e3d6d740f86dd6088 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-(acetylamino)-3-phenylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002524 |
