[1(7)]-Orthocyclophane

SpectraBase Compound ID	Eh9DRWFsWmb
InChI	InChI=1S/C49H42/c1-2-16-37-30-39-18-5-6-20-41(39)32-43-22-9-10-24-45(43)34-47-26-13-14-28-49(47)35-48-27-12-11-25-46(48)33-44-23-8-7-21-42(44)31-40-19-4-3-17-38(40)29-36(37)15-1/h1-28H,29-35H2
InChIKey	SOFLERAQCNPAME-UHFFFAOYSA-N Google Search
Mol Weight	630.9 g/mol
Molecular Formula	C49H42
Exact Mass	630.328651 g/mol

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SpectraBase Spectrum ID	1duakQNA0E2
Name	[1(7)]-Orthocyclophane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C49H42
InChI	InChI=1S/C49H42/c1-2-16-37-30-39-18-5-6-20-41(39)32-43-22-9-10-24-45(43)34-47-26-13-14-28-49(47)35-48-27-12-11-25-46(48)33-44-23-8-7-21-42(44)31-40-19-4-3-17-38(40)29-36(37)15-1/h1-28H,29-35H2
InChIKey	SOFLERAQCNPAME-UHFFFAOYSA-N
Molecular Weight	630.875 g/mol
SMILES	c12c(Cc3c(Cc4c(Cc5c(cccc5)Cc5c(Cc6c(Cc7c(C1)cccc7)cccc6)cccc5)cccc4)cccc3)cccc2
SPLASH	splash10-00pi-0941006000-848486db96c20c2a77f2
Source of Spectrum	J-59-883-19
Synonyms	10,15,20,25,30,35-hexahydro-5H-heptabenzo[a,d,g,j,m,p,s]cyclohenicosene
Wiley ID	1412139