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2,6,9,13-Cyclotetradecatetraene-4,11-diyne-1,8-dicarboxylic acid, 3,6,10,13-tetrakis(1,1-dimethylethyl)-, dimethyl ester
SpectraBase Compound ID FUgyldtdPxE
InChI InChI=1S/C34H48O4/c1-31(2,3)25-15-16-26(32(4,5)6)21-24(30(36)38-14)22-28(34(10,11)12)18-17-27(33(7,8)9)20-23(19-25)29(35)37-13/h19-24H,1-14H3/b25-19+,26-21+,27-20+,28-22+
InChIKey INFUQHYFSAGEFE-JENWQGNHSA-N
Mol Weight 520.8 g/mol
Molecular Formula C34H48O4
Exact Mass 520.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JgDS1kMq1a7
Name 2,6,9,13-Cyclotetradecatetraene-4,11-diyne-1,8-dicarboxylic acid, 3,6,10,13-tetrakis(1,1-dimethylethyl)-, dimethyl ester
CAS Registry Number 109124-04-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H48O4
InChI InChI=1S/C34H48O4/c1-31(2,3)25-15-16-26(32(4,5)6)21-24(30(36)38-14)22-28(34(10,11)12)18-17-27(33(7,8)9)20-23(19-25)29(35)37-13/h19-24H,1-14H3/b25-19+,26-21+,27-20+,28-22+
InChIKey INFUQHYFSAGEFE-JENWQGNHSA-N
Molecular Weight 520.754 g/mol
SMILES C1#C\C(=C/C(\C=C\(C(C)(C)C)C#C\C(=C/C(\C=C/1C(C)(C)C)C(=O)OC)C(C)(C)C)C(=O)OC)C(C)(C)C
SPLASH splash10-0a4i-9000110000-2cc9ebd58587b694c842
Source of Spectrum C-109-5003-30
Synonyms 5,12-Dicarbomethoxy-5,12-dihydro-3,7,10,14-tetra-tert-butyl-1,8-didehydro[14]annulene Dimethyl 3,6,10,13-tetratert-butyl-2,6,9,13-cyclotetradecatetraene-4,11-diyne-1,8-dicarboxylate
Wiley ID 1402058