Dimethoxybenzo[k]fluoranthene Clip

SpectraBase Compound ID	Fs0CJiuVLHP
InChI	InChI=1S/C54H34O2/c1-55-53-49-43-23-45(41-21-29-17-37-33-13-5-9-25-7-3-11-31(47(25)33)35(37)15-27(29)19-39(41)43)51(49)54(56-2)52-46-24-44(50(52)53)40-20-28-16-36-32-12-4-8-26-10-6-14-34(48(26)32)38(36)18-30(28)22-42(40)46/h3-22,43-46H,23-24H2,1-2H3/t43-,44+,45+,46-
InChIKey	BVVRXYOXXFEWRB-RYSLUOGPSA-N Google Search
Mol Weight	714.9 g/mol
Molecular Formula	C54H34O2
Exact Mass	714.25588 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	B0yP1bC220e
Name	Dimethoxybenzo[k]fluoranthene Clip
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C54H34O2
InChI	InChI=1S/C54H34O2/c1-55-53-49-43-23-45(41-21-29-17-37-33-13-5-9-25-7-3-11-31(47(25)33)35(37)15-27(29)19-39(41)43)51(49)54(56-2)52-46-24-44(50(52)53)40-20-28-16-36-32-12-4-8-26-10-6-14-34(48(26)32)38(36)18-30(28)22-42(40)46/h3-22,43-46H,23-24H2,1-2H3/t43-,44+,45+,46-
InChIKey	BVVRXYOXXFEWRB-RYSLUOGPSA-N
Molecular Weight	714.864 g/mol
SMILES	c12c([C@@]3(C[C@]1(c1c3cc3cc4-c5cccc6c5c(-c4cc3c1)ccc6)[H])[H])c(OC)c1c(c2OC)[C@]2(c3c(cc4cc5-c6cccc7c6c(-c5cc4c3)ccc7)[C@@]1(C2)[H])[H]
SPLASH	splash10-03xr-0000001900-ee84bb78f4329bdc82a7
Source of Spectrum	J-73-5848-1c
Wiley ID	1668470