| SpectraBase Spectrum ID |
2T5ABvU9pDw |
| Name |
phe-phe, N,N'-Dimethyl-N-ethoxycarbonyl-, ethyl ester (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
440.231122133 u |
| Formula |
C25H32N2O5 |
| InChI |
InChI=1S/C25H32N2O5/c1-5-31-24(29)22(18-20-15-11-8-12-16-20)26(3)23(28)21(27(4)25(30)32-6-2)17-19-13-9-7-10-14-19/h7-16,21-22H,5-6,17-18H2,1-4H3 |
| InChIKey |
NUILWUXJDOIESF-UHFFFAOYSA-N |
| Molecular Weight |
440.540 g/mol |
| SMILES |
C1(=CC=CC=C1)CC(C(N(C(CC1=CC=CC=C1)C(OCC)=O)C)=O)N(C)C(OCC)=O |
