[(2R,4S,5R)-5-(3-Cyclopentyl-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-Cyclopentyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl N-propan-2-ylcarbamate

ID: Reference9008

Other Names: Carbamic acid, N-(1-methylethyl)-, [(2R,4S,5R)-5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-331940

Formula: C21H34N4O2

Spectral Data

[(2R,4S,5R)-5-(3-Cyclopentyl-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 3387
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 6:28:34 AM
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Identificators

InChI InChI=1S/C21H34N4O2/c1-14(2)22-21(26)27-13-17-10-16-8-9-25(17)12-18(16)20-11-19(23-24(20)3)15-6-4-5-7-15/h11,14-18H,4-10,12-13H2,1-3H3,(H,22,26)/t16-,17+,18-/m0/s1
InChI Key PSPRHVQAQUUSAJ-KSZLIROESA-N
Canonical SMILES CC(C)NC(=O)OCC1CC2CCN1CC2C3=CC(=NN3C)C4CCCC4
CAS
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Other Names Carbamic acid, N-(1-methylethyl)-, [(2R,4S,5R)-5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-331940

In Other Databases

PubChem 40779157
ChemSpider 21380766