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5-(4-Chlorophenyl)-N,N-diethyl-2-methyl-4-oxo-4,5-dihydro-3H-chromeno[2,3-d]-pyrimidin-8-aminium acetate

View entire compound with spectra: 1 MS (GC)

5-(4-Chlorophenyl)-N,N-diethyl-2-methyl-4-oxo-4,5-dihydro-3H-chromeno[2,3-d]-pyrimidin-8-aminium acetate
SpectraBase Compound ID DhTD5A77XAX
InChI InChI=1S/C22H22ClN3O2.C2H4O2/c1-4-26(5-2)16-10-11-17-18(12-16)28-22-20(21(27)24-13(3)25-22)19(17)14-6-8-15(23)9-7-14;1-2(3)4/h6-12,19H,4-5H2,1-3H3,(H,24,25,27);1H3,(H,3,4)
InChIKey SSSPIMVYMDQPLO-UHFFFAOYSA-N
Mol Weight 455.94 g/mol
Molecular Formula C24H26ClN3O4
Exact Mass 455.161184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dEmfYI6Kkx
Name 5-(4-Chlorophenyl)-N,N-diethyl-2-methyl-4-oxo-4,5-dihydro-3H-chromeno[2,3-d]-pyrimidin-8-aminium acetate
Alternate Name(s) Acetic acid;5-(4-chlorophenyl)-8-(diethylamino)-2-methyl-3,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-4-one 5-(4-Chlorophenyl)-8-(diethylamino)-2-methyl-3,5-dihydrochromeno[2,3-d]pyrimidin-4-one;ethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26ClN3O4
InChI InChI=1S/C22H22ClN3O2.C2H4O2/c1-4-26(5-2)16-10-11-17-18(12-16)28-22-20(21(27)24-13(3)25-22)19(17)14-6-8-15(23)9-7-14;1-2(3)4/h6-12,19H,4-5H2,1-3H3,(H,24,25,27);1H3,(H,3,4)
InChIKey SSSPIMVYMDQPLO-UHFFFAOYSA-N
Molecular Weight 455.942 g/mol
SMILES C([O-])(=O)C.N1C(=NC=2Oc3cc(ccc3C(C2C1=O)c1ccc(Cl)cc1)[NH+](CC)CC)C
SPLASH splash10-001i-2190000000-5a5a252d7abcac87a80e
Source of Spectrum F2-46-771-11
Wiley ID 1690091