| SpectraBase Spectrum ID |
BZVeS8su4uj |
| Name |
(+)-(5S)-2-Ethoxycarbonyl-3-methoxy-5-trifluoroacetoamido-6-oxo-3,4,5,6-tetrahydro-1H-cyclohept[c,d]indole |
| Alternate Name(s) |
ethyl (5S)-3-methoxy-6-oxo-5-[(trifluoroacetyl)amino]-3,4,5,6-tetrahydro-1H-cyclohepta[cd]indole-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H17F3N2O5 |
| InChI |
InChI=1S/C18H17F3N2O5/c1-3-28-16(25)14-13-11(27-2)7-10(23-17(26)18(19,20)21)15(24)8-5-4-6-9(22-14)12(8)13/h4-6,10-11,22H,3,7H2,1-2H3,(H,23,26)/t10-,11?/m0/s1 |
| InChIKey |
HVEFAFTZWMACHG-VUWPPUDQSA-N |
| Molecular Weight |
398.338 g/mol |
| SMILES |
[nH]1c2cccc3c2c(C(C[C@@](C3=O)(NC(C(F)(F)F)=O)[H])OC)c1C(=O)OCC |
| SPLASH |
splash10-014j-0095000000-b926f0ed460a2441667a |
| Source of Spectrum |
E1-42-453-43 |
| Wiley ID |
1552401 |
![(+)-(5S)-2-Ethoxycarbonyl-3-methoxy-5-trifluoroacetoamido-6-oxo-3,4,5,6-tetrahydro-1H-cyclohept[c,d]indole](/api/spectrum/BZVeS8su4uj/structure.png?h=300&w=458 "(+)-(5S)-2-Ethoxycarbonyl-3-methoxy-5-trifluoroacetoamido-6-oxo-3,4,5,6-tetrahydro-1H-cyclohept[c,d]indole")
