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4-[7-(4-Methoxyphenyl)-10-nitro-1,2,3,4,5,7,8,9-octahydropyrimido[1,6-a][1,3]diazepin-9-yl]phenyl methyl ether
SpectraBase Compound ID I57f7tDdIGg
InChI InChI=1S/C22H26N4O4/c1-29-17-9-5-15(6-10-17)19-20(26(27)28)22-23-13-3-4-14-25(22)21(24-19)16-7-11-18(30-2)12-8-16/h5-12,19,21,23-24H,3-4,13-14H2,1-2H3
InChIKey LMDAOIQJZBUMGG-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C22H26N4O4
Exact Mass 410.195405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JaZYx2hfz3
Name 4-[7-(4-Methoxyphenyl)-10-nitro-1,2,3,4,5,7,8,9-octahydropyrimido[1,6-a][1,3]diazepin-9-yl]phenyl methyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N4O4
InChI InChI=1S/C22H26N4O4/c1-29-17-9-5-15(6-10-17)19-20(26(27)28)22-23-13-3-4-14-25(22)21(24-19)16-7-11-18(30-2)12-8-16/h5-12,19,21,23-24H,3-4,13-14H2,1-2H3
InChIKey LMDAOIQJZBUMGG-UHFFFAOYSA-N
Molecular Weight 410.474 g/mol
SMILES N1C(C(=C2N(C1c1ccc(cc1)OC)CCCCN2)N(=O)=O)c1ccc(cc1)OC
SPLASH splash10-05n0-3910000000-2767d2d600296c901dd3
Source of Spectrum F-68-322-3f
Wiley ID 1707413