[(2R,4S,5S)-5-Ethynyl-1-azabicyclo[2.2.2]oct-2-yl]methyl (2,4-difluorophenyl)carbamate

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Systematic / IUPAC Name: [(2R,4S,5S)-5-Ethynyl-1-azabicyclo[2.2.2]octan-2-yl]methyl N-(2,4-difluorophenyl)carbamate

ID: Reference9324

Other Names: Carbamic acid, N-(2,4-difluorophenyl)-, [(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-337333

Formula: C17H18F2N2O2

Spectral Data

[(2R,4S,5S)-5-Ethynyl-1-azabicyclo[2.2.2]oct-2-yl]methyl (2,4-difluorophenyl)carbamate 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
No. of Spectral Trees 1
No. of Spectra 559
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2020 11:54:57 AM
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Identificators

InChI InChI=1S/C17H18F2N2O2/c1-2-11-9-21-6-5-12(11)7-14(21)10-23-17(22)20-16-4-3-13(18)8-15(16)19/h1,3-4,8,11-12,14H,5-7,9-10H2,(H,20,22)/t11-,12-,14+/m0/s1
InChI Key FMJCWTMXZWLIEP-SGMGOOAPSA-N
Canonical SMILES C#CC1CN2CCC1CC2COC(=O)NC3=C(C=C(C=C3)F)F
CAS
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Other Names Carbamic acid, N-(2,4-difluorophenyl)-, [(2R,4S,5S)-5-ethynyl-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-337333

In Other Databases

ChemSpider 21381066
PubChem 26742338