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4,4,9,9-Tetramethyl[12]paracyclophane-5,6,7,8-tetrone
SpectraBase Compound ID Dvrk6AdbIqK
InChI InChI=1S/C22H28O4/c1-21(2)13-5-7-15-9-11-16(12-10-15)8-6-14-22(3,4)20(26)18(24)17(23)19(21)25/h9-12H,5-8,13-14H2,1-4H3
InChIKey IPVWAHRRYMVSLV-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT5Ks4pMSAz
Name 4,4,9,9-Tetramethyl[12]paracyclophane-5,6,7,8-tetrone
CAS Registry Number 137334-93-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-21(2)13-5-7-15-9-11-16(12-10-15)8-6-14-22(3,4)20(26)18(24)17(23)19(21)25/h9-12H,5-8,13-14H2,1-4H3
InChIKey IPVWAHRRYMVSLV-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES C1(C(C(C(CCCc2ccc(CCCC(C1=O)(C)C)cc2)(C)C)=O)=O)=O
SPLASH splash10-004i-0090000000-17f74d441981771ae929
Source of Spectrum J-57-257-26
Synonyms 5,5,10,10-tetramethylbicyclo[12.2.2]octadeca-1(16),14,17-triene-6,7,8,9-tetrone
Wiley ID 1346073