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Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,6,11,12-tetracarboxylic acid, 5,6-bis(1,1-dimethylethyl)11,12-dimethyl ester

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Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,6,11,12-tetracarboxylic acid, 5,6-bis(1,1-dimethylethyl)11,12-dimethyl ester
SpectraBase Compound ID Jv7pbuZWKSc
InChI InChI=1S/C30H36O8/c1-29(2,3)37-27(33)23-19-13-11-17-9-10-18(22(26(32)36-8)21(17)25(31)35-7)12-14-20(16-15-19)24(23)28(34)38-30(4,5)6/h9-10,15-16H,11-14H2,1-8H3
InChIKey HFEGDAKATHYLJV-UHFFFAOYSA-N
Mol Weight 524.6 g/mol
Molecular Formula C30H36O8
Exact Mass 524.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAszVyM3Bup
Name Tricyclo[8.2.2.2(4,7)]hexadeca-4,6,10,12,13,15-hexaene-5,6,11,12-tetracarboxylic acid, 5,6-bis(1,1-dimethylethyl)11,12-dimethyl ester
CAS Registry Number 73764-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36O8
InChI InChI=1S/C30H36O8/c1-29(2,3)37-27(33)23-19-13-11-17-9-10-18(22(26(32)36-8)21(17)25(31)35-7)12-14-20(16-15-19)24(23)28(34)38-30(4,5)6/h9-10,15-16H,11-14H2,1-8H3
InChIKey HFEGDAKATHYLJV-UHFFFAOYSA-N
Molecular Weight 524.610 g/mol
SMILES C(c1c(C(OC(C)(C)C)=O)c2CCc3c(c(c(CCc1cc2)cc3)C(=O)OC)C(=O)OC)(OC(C)(C)C)=O
SPLASH splash10-001i-0009000000-b9d4d6d779564728a51c
Source of Spectrum K-113-540-0
Synonyms 4,5-Di-t-butyl ester-12,13-dimethyl ester of[2.2]paracyclophan-4,5,12,13-tetracarboxylic acid 4,5-Di-tert-butylester-12,13-dimethylester of paracyclophan-4,5,12,13-tetracarboxylic acid 5,6-Ditert-butyl 11,12-dimethyl tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate Di-tert-butylester of phthalic acid
Wiley ID 1402591