anti-1,1',3,3'-Tetraphenyl[2.2](4,7)isobenzofuranophane

SpectraBase Compound ID	D2adImeqLXv
InChI	InChI=1S/C44H32O2/c1-5-13-33(14-6-1)41-37-29-21-22-30(38(37)42(45-41)34-15-7-2-8-16-34)27-28-32-24-23-31(26-25-29)39-40(32)44(36-19-11-4-12-20-36)46-43(39)35-17-9-3-10-18-35/h1-24H,25-28H2
InChIKey	UOCVPTUCDBRTDO-UHFFFAOYSA-N Google Search
Mol Weight	592.7 g/mol
Molecular Formula	C44H32O2
Exact Mass	592.24023 g/mol

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SpectraBase Spectrum ID	2OnRfE5hDHk
Name	anti-1,1',3,3'-Tetraphenyl[2.2](4,7)isobenzofuranophane
Alternate Name(s)	6,8,15,17-tetraphenyl-7,16-dioxapentacyclo[11.5.2.2(4,10).0(5,9).0(14,18)]docosa-1(19),4(22),5,8,10(21),13(20),14,17-octaene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H32O2
InChI	InChI=1S/C44H32O2/c1-5-13-33(14-6-1)41-37-29-21-22-30(38(37)42(45-41)34-15-7-2-8-16-34)27-28-32-24-23-31(26-25-29)39-40(32)44(36-19-11-4-12-20-36)46-43(39)35-17-9-3-10-18-35/h1-24H,25-28H2
InChIKey	UOCVPTUCDBRTDO-UHFFFAOYSA-N
Molecular Weight	592.738 g/mol
SMILES	c12c(c(-c3ccccc3)oc1-c1ccccc1)c1CCc3c4c(c(CCc2cc1)cc3)c(oc4-c1ccccc1)-c1ccccc1
SPLASH	splash10-0005-0090050000-d89dd69c4f360180b998
Source of Spectrum	K-127-2265-10
Wiley ID	1409557