1-[(1S,4S)-4-{3,5-Dimethyl-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]-3-phenylurea

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Systematic / IUPAC Name: 1-[(1S,4S)-4-[1-(4-tert-Butylphenyl)-3,5-dimethylpyrazol-4-yl]cyclopent-2-en-1-yl]-3-phenylurea

ID: Reference9243

Other Names: Urea, N-[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-phenyl-;
NAT16-377616

Formula: C27H32N4O

Spectral Data

1-[(1S,4S)-4-{3,5-Dimethyl-1-[4-(2-methyl-2-propanyl)phenyl]-1H-pyrazol-4-yl}-2-cyclopenten-1-yl]-3-phenylurea 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 3875
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/10/2020 1:26:42 PM
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Identificators

InChI InChI=1S/C27H32N4O/c1-18-25(19(2)31(30-18)24-15-12-21(13-16-24)27(3,4)5)20-11-14-23(17-20)29-26(32)28-22-9-7-6-8-10-22/h6-16,20,23H,17H2,1-5H3,(H2,28,29,32)/t20-,23-/m1/s1
InChI Key JAYKUTIKSZESGP-NFBKMPQASA-N
Canonical SMILES CC1=C(C(=NN1C2=CC=C(C=C2)C(C)(C)C)C)C3CC(C=C3)NC(=O)NC4=CC=CC=C4
CAS
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Other Names Urea, N-[(1S,4S)-4-[1-[4-(1,1-dimethylethyl)phenyl]-3,5-dimethyl-1H-pyrazol-4-yl]-2-cyclopenten-1-yl]-N'-phenyl-;
NAT16-377616

In Other Databases

ChemSpider 21385836
PubChem 26743430