3,3-Dimethyl-N-{[(2R,4S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}butanamide

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Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3,3-dimethylbutanamide

ID: Reference9006

Other Names: Butanamide, N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl]methyl]-3,3-dimethyl-;
NAT13-337457

Formula: C16H28N2O

Spectral Data

3,3-Dimethyl-N-{[(2R,4S,5R)-5-vinyl-1-azabicyclo[2.2.2]oct-2-yl]methyl}butanamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 475
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 6:23:10 AM
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Identificators

InChI InChI=1S/C16H28N2O/c1-5-12-11-18-7-6-13(12)8-14(18)10-17-15(19)9-16(2,3)4/h5,12-14H,1,6-11H2,2-4H3,(H,17,19)/t12-,13-,14+/m0/s1
InChI Key NNKRBQBOCNRMGN-MELADBBJSA-N
Canonical SMILES CC(C)(C)CC(=O)NCC1CC2CCN1CC2C=C
CAS
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Other Names Butanamide, N-[[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl]methyl]-3,3-dimethyl-;
NAT13-337457

In Other Databases

PubChem 40779435
ChemSpider 21381093