| SpectraBase Spectrum ID |
J0ibDs4EcnO |
| Name |
ile-ile, N,N'-Dimethyl-N-(N-propyloxycarbonyl)-, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.293722391 u |
| Formula |
C21H40N2O5 |
| InChI |
InChI=1S/C21H40N2O5/c1-9-13-27-20(25)18(16(6)12-4)22(7)19(24)17(15(5)11-3)23(8)21(26)28-14-10-2/h15-18H,9-14H2,1-8H3 |
| InChIKey |
JCNNRQVVZIPOCA-UHFFFAOYSA-N |
| Molecular Weight |
400.560 g/mol |
| SMILES |
CCC(C(C(N(C(C(CC)C)C(OCCC)=O)C)=O)N(C)C(OCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878135 |
