Debug Info

object
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6MD9R1WdH7a
spectrumID
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6MD9R1WdH7a
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Mass Spectrum (GC)
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[1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 1,1-di(trifluoromethyl)methyl ester
SpectraBase Compound ID H9x9PPHsPFb
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/t11?,12-,13?,14?/m1/s1
InChIKey FGIKKYIYUBNDME-DBBXXEFVSA-N
Mol Weight 439.35 g/mol
Molecular Formula C19H19F6NO4
Exact Mass 439.121827 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MD9R1WdH7a
Name [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid 1,1-di(trifluoromethyl)methyl ester
Copyright Copyright © 2020-2025 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/t11?,12-,13?,14?/m1/s1
InChIKey FGIKKYIYUBNDME-DBBXXEFVSA-N
Molecular Weight 439.354 g/mol
SMILES C1(C(OC(C(F)(F)F)C(F)(F)F)=O)[C@@]2(N(C)C(CC1OC(=O)c1ccccc1)CC2)[H]
SPLASH splash10-014i-3119300000-3d583c767a7f47fe74e6
Source of Spectrum CJ-1992-0-0
Synonyms 2,2,2-trifluoro-1-(trifluoromethyl)ethyl (1R)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Wiley ID 1384375
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