For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]ocatane-2-carboxylic acid 1,1-di(trifluoromethyl)methyl ester
SpectraBase Compound ID Bb1J3Vl0CBY
InChI InChI=1S/C19H19F6NO4/c1-26-11-7-8-12(26)14(16(28)30-17(18(20,21)22)19(23,24)25)13(9-11)29-15(27)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3
InChIKey FGIKKYIYUBNDME-UHFFFAOYSA-N
Mol Weight 439.35 g/mol
Molecular Formula C19H19F6NO4
Exact Mass 439.121827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7eI4Imf3PEq
Name 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]ocatane-2-carboxylic acid 1,1-di(trifluoromethyl)methyl ester
Alternate Name(s) 2,2,2-trifluoro-1-(trifluoromethyl)ethyl 3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19F6NO4
InChI InChI=1S/C19H19F6NO4/c1-26-11-7-8-12(26)14(16(28)30-17(18(20,21)22)19(23,24)25)13(9-11)29-15(27)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3
InChIKey FGIKKYIYUBNDME-UHFFFAOYSA-N
Molecular Weight 439.354 g/mol
SMILES C1(C(OC(C(F)(F)F)C(F)(F)F)=O)C2N(C)C(CC1OC(=O)c1ccccc1)CC2
SPLASH splash10-014i-3119300000-3d583c767a7f47fe74e6
Source of Spectrum CJ-1992-0-0
Wiley ID 1384376