| SpectraBase Spectrum ID |
ApfR2gt1YDv |
| Name |
L-Isoleucyl-L-isoleucine, N,N'-dimethyl-N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.218506590 u |
| Formula |
C18H31F3N2O5 |
| InChI |
InChI=1S/C18H31F3N2O5/c1-8-11(3)13(23(6)17(26)27-7)15(24)22(5)14(12(4)9-2)16(25)28-10-18(19,20)21/h11-14H,8-10H2,1-7H3 |
| InChIKey |
XGMXFRYTQLZRAN-UHFFFAOYSA-N |
| Molecular Weight |
412.450 g/mol |
| SMILES |
C(C(N(C)C(OC)=O)C(CC)C)(=O)N(C)C(C(OCC(F)(F)F)=O)C(CC)C |
