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Trivalvone

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Trivalvone
SpectraBase Compound ID LJB8BxYFIJO
InChI InChI=1S/C36H28N2O4/c1-38-16-14-20-18-26(41-3)36(42-4)32-24-12-8-6-10-22(24)30(34(38)28(20)32)29-21-9-5-7-11-23(21)31-27-19(13-15-37-33(27)29)17-25(40-2)35(31)39/h5-13,15,17-18H,14,16H2,1-4H3
InChIKey WSLMUCJRIGJOSH-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C36H28N2O4
Exact Mass 552.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpDdTbKZLAZ
Name Trivalvone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H28N2O4
InChI InChI=1S/C36H28N2O4/c1-38-16-14-20-18-26(41-3)36(42-4)32-24-12-8-6-10-22(24)30(34(38)28(20)32)29-21-9-5-7-11-23(21)31-27-19(13-15-37-33(27)29)17-25(40-2)35(31)39/h5-13,15,17-18H,14,16H2,1-4H3
InChIKey WSLMUCJRIGJOSH-UHFFFAOYSA-N
Molecular Weight 552.630 g/mol
SMILES c1(-c2c3c4c(C=C(C(c4c4c2cccc4)=O)OC)ccn3)c2c3c(cc(c(c3c3c1cccc3)OC)OC)CCN2C
SPLASH splash10-03fr-0090010000-a645ab5605b530b3afc8
Source of Spectrum X2-53-865-1
Synonyms 7'-(1,2-Dimethoxy-N-methyl- 6a,7-dehydroporphine)-7-(1''-oxoquinoide-2''-methoxyaporphine)
Wiley ID 1603587