7-Bromo-2,3,4-tris(dodecyloxy)-9-methylphenanthrene

SpectraBase Compound ID	IjzPKQ3Io5P
InChI	InChI=1S/C51H83BrO3/c1-5-8-11-14-17-20-23-26-29-32-37-53-48-41-44-40-43(4)47-42-45(52)35-36-46(47)49(44)51(55-39-34-31-28-25-22-19-16-13-10-7-3)50(48)54-38-33-30-27-24-21-18-15-12-9-6-2/h35-36,40-42H,5-34,37-39H2,1-4H3
InChIKey	FRQHGHBJZYNRNF-UHFFFAOYSA-N Google Search
Mol Weight	824.1 g/mol
Molecular Formula	C51H83BrO3
Exact Mass	822.55256 g/mol

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SpectraBase Spectrum ID	7DOYHtn81mZ
Name	7-Bromo-2,3,4-tris(dodecyloxy)-9-methylphenanthrene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C51H83BrO3
InChI	InChI=1S/C51H83BrO3/c1-5-8-11-14-17-20-23-26-29-32-37-53-48-41-44-40-43(4)47-42-45(52)35-36-46(47)49(44)51(55-39-34-31-28-25-22-19-16-13-10-7-3)50(48)54-38-33-30-27-24-21-18-15-12-9-6-2/h35-36,40-42H,5-34,37-39H2,1-4H3
InChIKey	FRQHGHBJZYNRNF-UHFFFAOYSA-N
Molecular Weight	824.126 g/mol
SMILES	c1c(c(c(c2c3ccc(cc3c(cc12)C)Br)OCCCCCCCCCCCC)OCCCCCCCCCCCC)OCCCCCCCCCCCC
SPLASH	splash10-0a4l-9001000010-197f1865c97c0b480747
Source of Spectrum	K-127-1742-13f
Wiley ID	1792416