| SpectraBase Spectrum ID |
Lng46H6uCWA |
| Name |
phe-phe, N,N'-Dimethyl-N-(N-propyloxycarbonyl)-, N-propyl ester (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
468.262422262 u |
| Formula |
C27H36N2O5 |
| InChI |
InChI=1S/C27H36N2O5/c1-5-17-33-26(31)24(20-22-15-11-8-12-16-22)28(3)25(30)23(19-21-13-9-7-10-14-21)29(4)27(32)34-18-6-2/h7-16,23-24H,5-6,17-20H2,1-4H3 |
| InChIKey |
JHAQPHYLFIIITC-UHFFFAOYSA-N |
| Molecular Weight |
468.594 g/mol |
| SMILES |
C1(=CC=CC=C1)CC(C(N(C(CC1=CC=CC=C1)C(OCCC)=O)C)=O)N(C)C(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885675 |
