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1,1':3,3'-Dibutanobis(1,3-diphenylphthalan)
SpectraBase Compound ID D3naUV6DmMP
InChI InChI=1S/C48H44O2/c1-5-21-37(22-6-1)45-33-17-18-35-47(39-25-9-3-10-26-39)43-31-15-16-32-44(43)48(50-47,40-27-11-4-12-28-40)36-20-19-34-46(49-45,38-23-7-2-8-24-38)42-30-14-13-29-41(42)45/h1-16,21-32H,17-20,33-36H2
InChIKey KAQZWUIGYIDLJZ-UHFFFAOYSA-N
Mol Weight 652.9 g/mol
Molecular Formula C48H44O2
Exact Mass 652.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rEGMrZMGU9
Name 1,1':3,3'-Dibutanobis(1,3-diphenylphthalan)
Alternate Name(s) 1,6,13,18-tetraphenyl-25,26-dioxapentacyclo[16.6.1.1(6,13).0(7,12).0(19,24)]hexacosa-7,9,11,19,21,23-hexaene
CAS Registry Number 74577-81-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H44O2
InChI InChI=1S/C48H44O2/c1-5-21-37(22-6-1)45-33-17-18-35-47(39-25-9-3-10-26-39)43-31-15-16-32-44(43)48(50-47,40-27-11-4-12-28-40)36-20-19-34-46(49-45,38-23-7-2-8-24-38)42-30-14-13-29-41(42)45/h1-16,21-32H,17-20,33-36H2
InChIKey KAQZWUIGYIDLJZ-UHFFFAOYSA-N
Molecular Weight 652.878 g/mol
SMILES C12(OC(c3ccccc3)(CCCCC3(OC(CCCC1)(c1c3cccc1)c1ccccc1)c1ccccc1)c1c2cccc1)c1ccccc1
SPLASH splash10-0006-9150001000-704bdddff9d41ade745c
Source of Spectrum J-45-3985-0
Wiley ID 1413250