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3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one
SpectraBase Compound ID ALjOTTkuKhO
InChI InChI=1S/C22H21ClN2O4/c1-14-6-7-16(13-18(14)23)24-8-10-25(11-9-24)21(26)17-12-15-4-3-5-19(28-2)20(15)29-22(17)27/h3-7,12-13H,8-11H2,1-2H3
InChIKey MRRNBVFDSNQQCQ-UHFFFAOYSA-N
Mol Weight 412.87 g/mol
Molecular Formula C22H21ClN2O4
Exact Mass 412.118985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6N3gTFlg9f
Name 3-[4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClN2O4
InChI InChI=1S/C22H21ClN2O4/c1-14-6-7-16(13-18(14)23)24-8-10-25(11-9-24)21(26)17-12-15-4-3-5-19(28-2)20(15)29-22(17)27/h3-7,12-13H,8-11H2,1-2H3
InChIKey MRRNBVFDSNQQCQ-UHFFFAOYSA-N
Molecular Weight 412.873 g/mol
SMILES C=1(C(Oc2c(C1)cccc2OC)=O)C(N1CCN(CC1)c1cc(Cl)c(cc1)C)=O
SPLASH splash10-0kai-6910000000-7761a67da4e33a428e39
Synonyms 3-[4-(3-chloro-4-methyl-phenyl)piperazine-1-carbonyl]-8-methoxy-coumarin 3-[[4-(3-chloro-4-methylphenyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one 3-[4-(3-chloro-4-methylphenyl)piperazine-1-carbonyl]-8-methoxychromen-2-one
Wiley ID 1442873