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(2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) benzoate
SpectraBase Compound ID KMVWTZQTmDR
InChI InChI=1S/C16H21NO2/c1-16(2)13-8-10-14(11-9-13)17(16)19-15(18)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3
InChIKey SROHJSLGHVJECH-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C16H21NO2
Exact Mass 259.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CS7VVZmhNkU
Name (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) benzoate
CAS Registry Number 109638-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2
InChI InChI=1S/C16H21NO2/c1-16(2)13-8-10-14(11-9-13)17(16)19-15(18)12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3
InChIKey SROHJSLGHVJECH-UHFFFAOYSA-N
Molecular Weight 259.349 g/mol
SMILES C1(N(C2CCC1CC2)OC(=O)c1ccccc1)(C)C
SPLASH splash10-0a4i-2920000000-1ef0f1fbc224699ce407
Source of Spectrum K-120-1776-12
Synonyms benzoic acid (2,2-dimethyl-3-azabicyclo[2.2.2]octan-3-yl) ester
Wiley ID 1262870