3,116bis[(Tetrahydropyranyl)methyl]-9-bromohelicene

SpectraBase Compound ID	IGYczBE6Vpt
InChI	InChI=1S/C42H37BrO4/c43-37-23-32-13-12-31-21-29-9-7-26(24-46-38-5-1-3-17-44-38)20-33(29)22-36(31)41(32)42-35(37)16-14-28-10-11-30-19-27(8-15-34(30)40(28)42)25-47-39-6-2-4-18-45-39/h7-16,19-23,38-39H,1-6,17-18,24-25H2
InChIKey	AOSQRGFOSBGEEW-UHFFFAOYSA-N Google Search
Mol Weight	685.7 g/mol
Molecular Formula	C42H37BrO4
Exact Mass	684.187523 g/mol

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SpectraBase Spectrum ID	3A9PvkAWjVp
Name	3,116bis[(Tetrahydropyranyl)methyl]-9-bromohelicene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C42H37BrO4
InChI	InChI=1S/C42H37BrO4/c43-37-23-32-13-12-31-21-29-9-7-26(24-46-38-5-1-3-17-44-38)20-33(29)22-36(31)41(32)42-35(37)16-14-28-10-11-30-19-27(8-15-34(30)40(28)42)25-47-39-6-2-4-18-45-39/h7-16,19-23,38-39H,1-6,17-18,24-25H2
InChIKey	AOSQRGFOSBGEEW-UHFFFAOYSA-N
Molecular Weight	685.658 g/mol
SMILES	c12c3c4c5c(cc(cc5)COC5OCCCC5)ccc4ccc3c(cc2ccc2c1cc1cc(COC3OCCCC3)ccc1c2)Br
SPLASH	splash10-0f79-0000029000-7c6399cb39bbc50c5cd8
Source of Spectrum	HE-2005-2341-10
Wiley ID	1613802