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4,10-Dimethyl-1-(4'-phenyl-1',3'-butadienyl0-4,10-diazatetracyclo[5.5.2.0(2,6).0(8,12)]tetradec-13-en-3,5,9,11-tetraone
SpectraBase Compound ID Hf6kiCjxqs6
InChI InChI=1S/C25H24N2O4/c1-14-13-25(12-8-7-11-15-9-5-4-6-10-15)19-17(21(28)26(2)23(19)30)16(14)18-20(25)24(31)27(3)22(18)29/h4-13,16-20H,1-3H3/b11-7+,12-8+/t16-,17+,18?,19-,20?,25+/m1/s1
InChIKey KLSOXZNEUDAZTA-GKXJWFCASA-N
Mol Weight 416.48 g/mol
Molecular Formula C25H24N2O4
Exact Mass 416.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4rre6U5a3j
Name 4,10-Dimethyl-1-(4'-phenyl-1',3'-butadienyl0-4,10-diazatetracyclo[5.5.2.0(2,6).0(8,12)]tetradec-13-en-3,5,9,11-tetraone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O4
InChI InChI=1S/C25H24N2O4/c1-14-13-25(12-8-7-11-15-9-5-4-6-10-15)19-17(21(28)26(2)23(19)30)16(14)18-20(25)24(31)27(3)22(18)29/h4-13,16-20H,1-3H3/b11-7+,12-8+/t16-,17+,18?,19-,20?,25+/m1/s1
InChIKey KLSOXZNEUDAZTA-GKXJWFCASA-N
Molecular Weight 416.477 g/mol
SMILES [C@]12(C3C(N(C)C(C3[C@@](C(=C1)C)([C@@]1(C(=O)N(C([C@]21[H])=O)C)[H])[H])=O)=O)\C=C\C=C\c1ccccc1
SPLASH splash10-0aor-0009800000-dcac3b9bab569198dbcf
Source of Spectrum Y-29-930-17
Synonyms 4,10,14-Trimethyl-1-(4'-phenyl-1',3'-butadienyl)-4,10-diazatetracyclo[5.5.2.0(2,6).0(8,12)]tetradec-13-en-3,5,9,11-tetraone 4,10,14-trimethyl-1-[(1E,3E)-4-phenyl-1,3-butadienyl]-4,10-diazatetracyclo[5.5.2.0(2,6).0(8,12)]tetradec-13-ene-3,5,9,11-tetrone
Wiley ID 1376477