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(+)-(5S)-2-Ethoxycarbonyl-5-trifluoroacetoamido-6-oxo-3,4,5,6-tetrahydro-1H-cyclohept[c,d]indole
SpectraBase Compound ID DNP2GCk1yoh
InChI InChI=1S/C17H15F3N2O4/c1-2-26-15(24)13-8-6-7-11(22-16(25)17(18,19)20)14(23)9-4-3-5-10(21-13)12(8)9/h3-5,11,21H,2,6-7H2,1H3,(H,22,25)/t11-/m0/s1
InChIKey JMGZHRPBQWBPDI-NSHDSACASA-N
Mol Weight 368.31 g/mol
Molecular Formula C17H15F3N2O4
Exact Mass 368.098391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kiprsu9zorK
Name (+)-(5S)-2-Ethoxycarbonyl-5-trifluoroacetoamido-6-oxo-3,4,5,6-tetrahydro-1H-cyclohept[c,d]indole
Comments Less than 3 mono-isotopic peaks
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Formula C17H15F3N2O4
InChI InChI=1S/C17H15F3N2O4/c1-2-26-15(24)13-8-6-7-11(22-16(25)17(18,19)20)14(23)9-4-3-5-10(21-13)12(8)9/h3-5,11,21H,2,6-7H2,1H3,(H,22,25)/t11-/m0/s1
InChIKey JMGZHRPBQWBPDI-NSHDSACASA-N
Molecular Weight 368.312 g/mol
SMILES [nH]1c2cccc3c2c(CC[C@](NC(C(F)(F)F)=O)(C3=O)[H])c1C(=O)OCC
SPLASH splash10-0a4i-0094000000-71781a61cf97007657d2
Source of Spectrum E1-42-453-42
Synonyms ethyl (5S)-6-oxo-5-[(trifluoroacetyl)amino]-3,4,5,6-tetrahydro-1H-cyclohepta[cd]indole-2-carboxylate
Wiley ID 1552402