| SpectraBase Spectrum ID |
E0KRPi7fL6T |
| Name |
ile-ile-ile, N,N',N''-Trimethyl-N-ethoxycarbonyl-, methyl ester (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
485.346486239 u |
| Formula |
C25H47N3O6 |
| InChI |
InChI=1S/C25H47N3O6/c1-12-16(5)19(22(29)27(9)21(18(7)14-3)24(31)33-11)26(8)23(30)20(17(6)13-2)28(10)25(32)34-15-4/h16-21H,12-15H2,1-11H3 |
| InChIKey |
ZRHFLDKQXXSHKL-UHFFFAOYSA-N |
| Molecular Weight |
485.666 g/mol |
| SMILES |
CCC(C(C(N(C(C(CC)C)C(N(C(C(CC)C)C(OC)=O)C)=O)C)=O)N(C)C(OCC)=O)C |
