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Tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4,6,8(16),11,13-hexaene-5,14-dicarboxylic acid, dimethyl ester
SpectraBase Compound ID 9wm2yHI38e0
InChI InChI=1S/C20H20O4/c1-23-19(21)17-9-5-13-3-4-14-6-10-18(20(22)24-2)16(12-14)8-7-15(17)11-13/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKey JYYWNLSURUCJNG-UHFFFAOYSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5I1ThsSZu0a
Name Tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4,6,8(16),11,13-hexaene-5,14-dicarboxylic acid, dimethyl ester
Alternate Name(s) Dimethyl tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaene-5,14-dicarboxylate Dimethylester of[2.2]metacyclophane-4,14-dicarboxylic acid
CAS Registry Number 55705-33-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-23-19(21)17-9-5-13-3-4-14-6-10-18(20(22)24-2)16(12-14)8-7-15(17)11-13/h5-6,9-12H,3-4,7-8H2,1-2H3
InChIKey JYYWNLSURUCJNG-UHFFFAOYSA-N
Molecular Weight 324.376 g/mol
SMILES c1(c2cc(cc1)CCc1ccc(c(CC2)c1)C(=O)OC)C(=O)OC
SPLASH splash10-0avi-0091000000-3c5075d04b753c5860a3
Source of Spectrum AH-106-771-6
Wiley ID 1323420