| SpectraBase Spectrum ID |
8H1A6V9IwUq |
| Name |
N-Caproyl-phenylalanine methyl ester |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
277.167793602 u |
| Formula |
C16H23NO3 |
| InChI |
InChI=1S/C16H23NO3/c1-3-4-6-11-15(18)17-14(16(19)20-2)12-13-9-7-5-8-10-13/h5,7-10,14H,3-4,6,11-12H2,1-2H3,(H,17,18) |
| InChIKey |
IZQJDSLVCFGOEO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
277.364 g/mol |
| Nominal Mass |
277 u |
| Quality |
881 |
| Retention Index |
2098 |
| SMILES |
C(NC(CCCCC)=O)(CC1=CC=CC=C1)C(OC)=O |
| SPLASH |
splash10-03di-5900000000-780894a0b1a9f281cd03 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-(hexanoylamino)-3-phenylpropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002586 |
