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Pagoclone
SpectraBase Compound ID HZNtfMNM9q7
InChI InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3
InChIKey HIUPRQPBWVEQJJ-UHFFFAOYSA-N
Mol Weight 407.9 g/mol
Molecular Formula C23H22ClN3O2
Exact Mass 407.140055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12EdYcHPUi6
Name Pagoclone
Catalog Number 27749
Lot Number 653490
CAS Registry Number 133737-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.140054658 u
Formula C23H22ClN3O2
InChI InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3
InChIKey HIUPRQPBWVEQJJ-UHFFFAOYSA-N
Molecular Weight 407.901 g/mol
Purity >=98%
Quality 992
SMILES C1(Cl)=CC=C2C=CC(N3C(CC(CCC(C)C)=O)C4=C(C=CC=C4)C3=O)=NC2=N1
SPLASH splash10-0a4i-2639000000-59dee67660de28990eae
Source of Spectrum CAY-2024-2267-0
Synonyms RP 59037 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)isoindolin-1-one 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydro-1H-isoindol-1-one
Wiley ID 1890452