{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl isopropylcarbamate

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

ID: Reference9055

Other Names: Carbamic acid, N-(1-methylethyl)-, [(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-339046

Formula: C24H34N4O4

Spectral Data

{(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl isopropylcarbamate 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 263
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2019 10:57:39 AM
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Identificators

InChI InChI=1S/C24H34N4O4/c1-15(2)25-24(29)32-14-18-10-16-8-9-28(18)13-19(16)21-12-20(26-27(21)3)17-6-7-22(30-4)23(11-17)31-5/h6-7,11-12,15-16,18-19H,8-10,13-14H2,1-5H3,(H,25,29)/t16-,18+,19-/m0/s1
InChI Key IUMDAWMYEIOCHJ-UHOSZYNNSA-N
Canonical SMILES CC(C)NC(=O)OCC1CC2CCN1CC2C3=CC(=NN3C)C4=CC(=C(C=C4)OC)OC
CAS
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Other Names Carbamic acid, N-(1-methylethyl)-, [(2R,4S,5R)-5-[3-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-339046

In Other Databases

PubChem 25389540
ChemSpider 21381239