| SpectraBase Spectrum ID |
22Octhxbe8x |
| Name |
ile-ile-ile, N,N',N''-Trimethyl-N-(N-propyloxycarbonyl)-, N-propyl ester (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
527.393436433 u |
| Formula |
C28H53N3O6 |
| InChI |
InChI=1S/C28H53N3O6/c1-12-17-36-27(34)24(21(8)16-5)30(10)25(32)22(19(6)14-3)29(9)26(33)23(20(7)15-4)31(11)28(35)37-18-13-2/h19-24H,12-18H2,1-11H3 |
| InChIKey |
JAHRKTWRFZICLP-UHFFFAOYSA-N |
| Molecular Weight |
527.747 g/mol |
| SMILES |
CCC(C(C(N(C(C(CC)C)C(N(C(C(CC)C)C(OCCC)=O)C)=O)C)=O)N(C)C(OCCC)=O)C |
