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5-(2-Butyl-6-methylphenyl)-1H-pyrrole-3-carbonitrile

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5-(2-Butyl-6-methylphenyl)-1H-pyrrole-3-carbonitrile
SpectraBase Compound ID 6qk4kDscZXx
InChI InChI=1S/C16H18N2/c1-3-4-7-14-8-5-6-12(2)16(14)15-9-13(10-17)11-18-15/h5-6,8-9,11,18H,3-4,7H2,1-2H3
InChIKey MYQFWELAYAZZBI-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 FsMZ3d936ry
Name 5-(2-Butyl-6-methylphenyl)-1H-pyrrole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2
InChI InChI=1S/C16H18N2/c1-3-4-7-14-8-5-6-12(2)16(14)15-9-13(10-17)11-18-15/h5-6,8-9,11,18H,3-4,7H2,1-2H3
InChIKey MYQFWELAYAZZBI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00141
Molecular Weight 238.334 g/mol
SMILES [nH]1c(cc(c1)C#N)-c1c(cccc1C)CCCC
SPLASH splash10-001a-1590000000-ad240342b74e3597f6bd
Source of Spectrum A1-18-852/SM16-2b
Wiley ID 1805203