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2-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1,4-dioxo-3,4,4a,5,10,10a-hexahydro-1H-5,10-benzeno-benzo[g]-phthalazine

View entire compound with spectra: 1 MS (GC)

2-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1,4-dioxo-3,4,4a,5,10,10a-hexahydro-1H-5,10-benzeno-benzo[g]-phthalazine
SpectraBase Compound ID 98HIJ4Hwj1c
InChI InChI=1S/C27H18BrN3O2S/c28-24-23(14-8-2-1-3-9-14)29-27(34-24)31-26(33)22-20-17-12-6-4-10-15(17)19(21(22)25(32)30-31)16-11-5-7-13-18(16)20/h1-13,19-22H,(H,30,32)/t19-,20+,21?,22?
InChIKey SVLONVKINCUKFH-UHFFFAOYSA-N
Mol Weight 528.42 g/mol
Molecular Formula C27H18BrN3O2S
Exact Mass 527.030311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DctGULjSCZ
Name 2-(5-bromo-4-phenyl-1,3-thiazol-2-yl)-1,4-dioxo-3,4,4a,5,10,10a-hexahydro-1H-5,10-benzeno-benzo[g]-phthalazine
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Formula C27H18BrN3O2S
InChI InChI=1S/C27H18BrN3O2S/c28-24-23(14-8-2-1-3-9-14)29-27(34-24)31-26(33)22-20-17-12-6-4-10-15(17)19(21(22)25(32)30-31)16-11-5-7-13-18(16)20/h1-13,19-22H,(H,30,32)/t19-,20+,21?,22?
InChIKey SVLONVKINCUKFH-UHFFFAOYSA-N
Molecular Weight 528.424 g/mol
SMILES N1C(C2[C@@]3(c4ccccc4[C@](C2C(N1c1sc(Br)c(n1)-c1ccccc1)=O)(c1ccccc31)[H])[H])=O
SPLASH splash10-004i-0920000000-68c26a3ce921dda65bfe
Source of Spectrum F2-44-4440-19
Wiley ID 1705712