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1-benzyl-4-(cyclohex-2-en-1-yl)-1H-pyrazole
SpectraBase Compound ID 1I2Wl051rAS
InChI InChI=1S/C16H18N2/c1-3-7-14(8-4-1)12-18-13-16(11-17-18)15-9-5-2-6-10-15/h1,3-5,7-9,11,13,15H,2,6,10,12H2
InChIKey QBANGOHUCOONSX-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C16H18N2
Exact Mass 238.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVMgJiDzU59
Name 1-benzyl-4-(cyclohex-2-en-1-yl)-1H-pyrazole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2
InChI InChI=1S/C16H18N2/c1-3-7-14(8-4-1)12-18-13-16(11-17-18)15-9-5-2-6-10-15/h1,3-5,7-9,11,13,15H,2,6,10,12H2
InChIKey QBANGOHUCOONSX-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A & Agilent Technologies 5975C Inert XL EI/CI MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201906898
Molecular Weight 238.334 g/mol
Reported Formula C16H18N2
SMILES c1(ccccc1)C[n]1ncc(c1)C1C=CCCC1
SPLASH splash10-0006-9330000000-cc2d126827ee76537bea
Source of Spectrum ACI-58-SM25-7c
Wiley ID 1875531