| SpectraBase Spectrum ID |
KwhzDh5j8UV |
| Name |
L-Phenylalanine, N-(4-butylbenzoyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.183443666 u |
| Formula |
C21H25NO3 |
| InChI |
InChI=1S/C21H25NO3/c1-3-4-8-16-11-13-18(14-12-16)20(23)22-19(21(24)25-2)15-17-9-6-5-7-10-17/h5-7,9-14,19H,3-4,8,15H2,1-2H3,(H,22,23) |
| InChIKey |
AXCCLNAVUHVWCT-UHFFFAOYSA-N |
| Molecular Weight |
339.435 g/mol |
| SMILES |
CCCCC1=CC=C(C=C1)C(NC(C(OC)=O)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890758 |
