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2-TRIFLUOROMETHYL-2-MENTHYLOXYCARBONYL-INDAN-1-ONE
SpectraBase Compound ID 4bOQj8y9P92
InChI InChI=1S/2C21H25F3O3/c2*1-12(2)15-9-8-13(3)10-17(15)27-19(26)20(21(22,23)24)11-14-6-4-5-7-16(14)18(20)25/h2*4-7,12-13,15,17H,8-11H2,1-3H3
InChIKey MLYDZRWZZRRDQA-UHFFFAOYSA-N
Mol Weight 764.85 g/mol
Molecular Formula C42H50F6O6
Exact Mass 764.351158 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3OteUcs8ntw
Name 2-TRIFLUOROMETHYL-2-MENTHYLOXYCARBONYL-INDAN-1-ONE
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50F6O6
InChI InChI=1S/2C21H25F3O3/c2*1-12(2)15-9-8-13(3)10-17(15)27-19(26)20(21(22,23)24)11-14-6-4-5-7-16(14)18(20)25/h2*4-7,12-13,15,17H,8-11H2,1-3H3
InChIKey MLYDZRWZZRRDQA-UHFFFAOYSA-N
Literature Reference Author J.A.MA,D.CAHARD
Literature Reference Citation J.ORG.CHEM.,68,8726(2003)
Literature Reference DOI 10.1021/jo034881e
Solvent CDCl3
Source File Reference UWSI21129