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(1'R,4aS,8aR)-3,4,4a,5,7,8,8a-Heptahydro-6-[4-(trifluoromethyl-3H-diazirin-3-yl)benzenylidene]-1-[(1'-(phenyl)ethyl]quinolin-2(1H)-one
SpectraBase Compound ID K5modnN1OfC
InChI InChI=1S/C26H26F3N3O/c1-17(20-5-3-2-4-6-20)32-23-13-9-19(16-21(23)10-14-24(32)33)15-18-7-11-22(12-8-18)25(30-31-25)26(27,28)29/h2-8,11-12,15,17,21,23H,9-10,13-14,16H2,1H3/b19-15+/t17-,21+,23-/m1/s1
InChIKey QXCMWRMAIQWLSR-DMQVKEQCSA-N
Mol Weight 453.51 g/mol
Molecular Formula C26H26F3N3O
Exact Mass 453.202797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXn152cX69r
Name (1'R,4aS,8aR)-3,4,4a,5,7,8,8a-Heptahydro-6-[4-(trifluoromethyl-3H-diazirin-3-yl)benzenylidene]-1-[(1'-(phenyl)ethyl]quinolin-2(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26F3N3O
InChI InChI=1S/C26H26F3N3O/c1-17(20-5-3-2-4-6-20)32-23-13-9-19(16-21(23)10-14-24(32)33)15-18-7-11-22(12-8-18)25(30-31-25)26(27,28)29/h2-8,11-12,15,17,21,23H,9-10,13-14,16H2,1H3/b19-15+/t17-,21+,23-/m1/s1
InChIKey QXCMWRMAIQWLSR-DMQVKEQCSA-N
Molecular Weight 453.509 g/mol
SMILES C1(N=N1)(C(F)(F)F)c1ccc(\C=C\2C[C@@]3(CCC(N([C@@]3(CC2)[H])[C@@](c2ccccc2)(C)[H])=O)[H])cc1
SPLASH splash10-0a4i-0900100000-b9b272e1311f6ab80ef0
Source of Spectrum KC-61-11251-19
Wiley ID 1631302