4,7,12,15-Tetraphenyl[2.2]paracyclophane

SpectraBase Compound ID	8wt1DuzVy4h
InChI	InChI=1S/C40H32/c1-5-13-29(14-6-1)37-25-34-23-24-36-28-39(31-17-9-3-10-18-31)35(27-40(36)32-19-11-4-12-20-32)22-21-33(37)26-38(34)30-15-7-2-8-16-30/h1-20,25-28H,21-24H2
InChIKey	DVENUHHEIXZTII-UHFFFAOYSA-N Google Search
Mol Weight	512.7 g/mol
Molecular Formula	C40H32
Exact Mass	512.250401 g/mol

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SpectraBase Spectrum ID	K4Bvp4OUumX
Name	4,7,12,15-Tetraphenyl[2.2]paracyclophane
Alternate Name(s)	5,11,13,15-tetraphenyltricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C40H32
InChI	InChI=1S/C40H32/c1-5-13-29(14-6-1)37-25-34-23-24-36-28-39(31-17-9-3-10-18-31)35(27-40(36)32-19-11-4-12-20-32)22-21-33(37)26-38(34)30-15-7-2-8-16-30/h1-20,25-28H,21-24H2
InChIKey	DVENUHHEIXZTII-UHFFFAOYSA-N
Molecular Weight	512.696 g/mol
SMILES	c1(c2cc(c(c1)CCc1c(-c3ccccc3)cc(c(-c3ccccc3)c1)CC2)-c1ccccc1)-c1ccccc1
SPLASH	splash10-0a4i-0090020000-069d6a4be0cddb466ae1
Source of Spectrum	K-126-1650-15
Wiley ID	1400939