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4-(n-Butyl)-3-(4-methoxyphenyl)-6-nitropyrazolo[5,1-a]isoquinoline
SpectraBase Compound ID 8qPgRPTNw1E
InChI InChI=1S/C22H21N3O3/c1-3-4-5-19-20-14-16(25(26)27)8-11-18(20)21-12-13-23-24(21)22(19)15-6-9-17(28-2)10-7-15/h6-14H,3-5H2,1-2H3
InChIKey KPVGQFHPLYPBAO-UHFFFAOYSA-N
Mol Weight 375.43 g/mol
Molecular Formula C22H21N3O3
Exact Mass 375.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5Y2JV3AWV3
Name 4-(n-Butyl)-3-(4-methoxyphenyl)-6-nitropyrazolo[5,1-a]isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O3
InChI InChI=1S/C22H21N3O3/c1-3-4-5-19-20-14-16(25(26)27)8-11-18(20)21-12-13-23-24(21)22(19)15-6-9-17(28-2)10-7-15/h6-14H,3-5H2,1-2H3
InChIKey KPVGQFHPLYPBAO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol303083n
Molecular Weight 375.428 g/mol
SMILES c1c([N+](=O)[O-])cc2C(CCCC)=C(c3ccc(OC)cc3)[n]3c(-c2c1)ccn3
SPLASH splash10-001i-0139000000-2268aa37cf31659633ca
Source of Spectrum A1-14-6318/SMS14-3ah
Synonyms 6-Butyl-5-(4-methoxyphenyl)-8-nitropyrazolo[5,1-a]isoquinoline 6-Butyl-5-(4-methoxyphenyl)-8-nitro-pyrazolo[5,1-a]isoquinoline
Wiley ID 1750917