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[1,2,4]Triazolo[3,4-a]phthalazine, 3-methyl-6-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-
SpectraBase Compound ID HNo83FP3F6l
InChI InChI=1S/C21H21N5O3S/c1-14-7-8-16(13-19(14)30(27,28)25-9-11-29-12-10-25)20-17-5-3-4-6-18(17)21-23-22-15(2)26(21)24-20/h3-8,13H,9-12H2,1-2H3
InChIKey KBCOBBQXHZATHS-UHFFFAOYSA-N
Mol Weight 423.49 g/mol
Molecular Formula C21H21N5O3S
Exact Mass 423.136511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcMVaP2eFDr
Name [1,2,4]Triazolo[3,4-a]phthalazine, 3-methyl-6-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N5O3S
InChI InChI=1S/C21H21N5O3S/c1-14-7-8-16(13-19(14)30(27,28)25-9-11-29-12-10-25)20-17-5-3-4-6-18(17)21-23-22-15(2)26(21)24-20/h3-8,13H,9-12H2,1-2H3
InChIKey KBCOBBQXHZATHS-UHFFFAOYSA-N
Molecular Weight 423.491 g/mol
SMILES Cc1nnc2-c3c(C(=N[n]12)c1cc(c(cc1)C)S(=O)(=O)N1CCOCC1)cccc3
SPLASH splash10-0pki-9450000000-ea65da357171cb799971
Source of Spectrum IY-1-4587-7
Wiley ID 1653860