6,7,16,17-tetraphenyl[4.4]paracyclophane

SpectraBase Compound ID	EMbdtt9IL2O
InChI	InChI=1S/C44H40/c1-5-17-33(18-6-1)41-37-25-13-14-27-39-31-32-40(28-16-15-26-38(30-29-37)42(41)34-19-7-2-8-20-34)44(36-23-11-4-12-24-36)43(39)35-21-9-3-10-22-35/h1-12,17-24,29-32H,13-16,25-28H2
InChIKey	IYBFMHLSCTYIQV-UHFFFAOYSA-N Google Search
Mol Weight	568.8 g/mol
Molecular Formula	C44H40
Exact Mass	568.313001 g/mol

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SpectraBase Spectrum ID	IHPC4RiBZiO
Name	6,7,16,17-tetraphenyl[4.4]paracyclophane
Alternate Name(s)	7,8,15,16-tetraphenyltricyclo[12.2.2.2(6,9)]icosa-1(16),6,8,14,17,19-hexaene
CAS Registry Number	119337-34-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H40
InChI	InChI=1S/C44H40/c1-5-17-33(18-6-1)41-37-25-13-14-27-39-31-32-40(28-16-15-26-38(30-29-37)42(41)34-19-7-2-8-20-34)44(36-23-11-4-12-24-36)43(39)35-21-9-3-10-22-35/h1-12,17-24,29-32H,13-16,25-28H2
InChIKey	IYBFMHLSCTYIQV-UHFFFAOYSA-N
Molecular Weight	568.804 g/mol
SMILES	c1(c(c2CCCCc3c(c(c(CCCCc1cc2)cc3)-c1ccccc1)-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH	splash10-014i-0040090000-1dba36221255f30518e2
Source of Spectrum	K-122-995-3
Wiley ID	1407612