(1S,4R)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl [(1R)-1-phenylethyl]carbamate

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Systematic / IUPAC Name: [(1S,4R)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl] N-[(1R)-1-phenylethyl]carbamate

ID: Reference9304

Other Names: Carbamic acid, N-[(1R)-1-phenylethyl]-, (1S,4R)-4-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl ester;
NAT16-377306

Formula: C26H28ClN3O2

Spectral Data

(1S,4R)-4-[1-(3-Chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl [(1R)-1-phenylethyl]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 2
No. of Spectra 1947
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2020 11:10:54 AM
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Identificators

InChI InChI=1S/C26H28ClN3O2/c1-16-10-12-22(15-24(16)27)30-19(4)25(18(3)29-30)21-11-13-23(14-21)32-26(31)28-17(2)20-8-6-5-7-9-20/h5-13,15,17,21,23H,14H2,1-4H3,(H,28,31)/t17-,21+,23-/m1/s1
InChI Key HBIPYUGMVCEIFV-FRGLQRNOSA-N
Canonical SMILES CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)C3CC(C=C3)OC(=O)NC(C)C4=CC=CC=C4)C)Cl
CAS
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Other Names Carbamic acid, N-[(1R)-1-phenylethyl]-, (1S,4R)-4-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl ester;
NAT16-377306

In Other Databases

PubChem 40777693
ChemSpider 21385825