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4',4",5',5"-Tetracarbomethoxy-1,2,:9,10-dibenzo[2.2]paracyclophane-1,9-diene
SpectraBase Compound ID Die6JaWYgll
InChI InChI=1S/C32H24O8/c1-37-29(33)23-9-5-7-19-17-11-13-18(14-12-17)20-8-6-10-24(30(34)38-2)26(20)22-16-15-21(25(19)23)27(31(35)39-3)28(22)32(36)40-4/h5-16H,1-4H3/b19-17-,20-18-,25-21-,26-22-
InChIKey XCQZZMKGBJRPQU-JMHQHXOFSA-N
Mol Weight 536.5 g/mol
Molecular Formula C32H24O8
Exact Mass 536.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xpIqVNMNwU
Name 4',4",5',5"-Tetracarbomethoxy-1,2,:9,10-dibenzo[2.2]paracyclophane-1,9-diene
Alternate Name(s) tetramethyl pentacyclo[16.2.2.2(8,11).0(2,7).0(12,17)]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene-3,16,19,20-tetracarboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H24O8
InChI InChI=1S/C32H24O8/c1-37-29(33)23-9-5-7-19-17-11-13-18(14-12-17)20-8-6-10-24(30(34)38-2)26(20)22-16-15-21(25(19)23)27(31(35)39-3)28(22)32(36)40-4/h5-16H,1-4H3/b19-17-,20-18-,25-21-,26-22-
InChIKey XCQZZMKGBJRPQU-JMHQHXOFSA-N
Molecular Weight 536.536 g/mol
SMILES c1(c(c2-c3c(C(=O)OC)cccc3-c3ccc(-c4c(-c1cc2)c(C(=O)OC)ccc4)cc3)C(=O)OC)C(=O)OC
SPLASH splash10-000i-0000090000-e8aae0e57b7c8e86c35a
Source of Spectrum C-115-3516-1
Wiley ID 1404110