For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-[1',4'-Dioxo-3',4',4'a,5',10',10'a-hexahydro-1H-(5,10)-benzobenzeno[g]phthalazin-2'-yl]-2-[(p-methoxyphenyl)hydrazono]-3-oxo-1-propionitrile
SpectraBase Compound ID KvTmHHq4PGJ
InChI InChI=1S/C28H21N5O4/c1-37-16-12-10-15(11-13-16)30-31-21(14-29)27(35)33-28(36)25-23-19-8-4-2-6-17(19)22(24(25)26(34)32-33)18-7-3-5-9-20(18)23/h2-13,22-25,30H,1H3,(H,32,34)/b31-21-/t22-,23+,24-,25-/m0/s1
InChIKey JFTGXFFTIZFBMN-CRQDRQHCSA-N
Mol Weight 491.51 g/mol
Molecular Formula C28H21N5O4
Exact Mass 491.159354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KD0srJ09sMk
Name 3-[1',4'-Dioxo-3',4',4'a,5',10',10'a-hexahydro-1H-(5,10)-benzobenzeno[g]phthalazin-2'-yl]-2-[(p-methoxyphenyl)hydrazono]-3-oxo-1-propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H21N5O4
InChI InChI=1S/C28H21N5O4/c1-37-16-12-10-15(11-13-16)30-31-21(14-29)27(35)33-28(36)25-23-19-8-4-2-6-17(19)22(24(25)26(34)32-33)18-7-3-5-9-20(18)23/h2-13,22-25,30H,1H3,(H,32,34)/b31-21-/t22-,23+,24-,25-/m0/s1
InChIKey JFTGXFFTIZFBMN-CRQDRQHCSA-N
Molecular Weight 491.507 g/mol
SMILES N1C([C@]2([C@@]3(c4ccccc4[C@]([C@@]2(C(N1C(\C(=N/Nc1ccc(cc1)OC)C#N)=O)=O)[H])(c1ccccc31)[H])[H])[H])=O
SPLASH splash10-004l-0900500000-68eb19f4b6dbc62092c1
Source of Spectrum AH-140-1376-3c
Wiley ID 1702289