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4,13-dibenzoyl[2.2]paracyclophane
SpectraBase Compound ID GZvjHfS4Iqo
InChI InChI=1S/C30H24O2/c31-29(25-7-3-1-4-8-25)27-19-21-11-12-22-14-16-24(18-17-23(27)15-13-21)28(20-22)30(32)26-9-5-2-6-10-26/h1-10,13-16,19-20H,11-12,17-18H2
InChIKey JXLMTNOZVRRWKJ-UHFFFAOYSA-N
Mol Weight 416.52 g/mol
Molecular Formula C30H24O2
Exact Mass 416.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AU13lVTCgbJ
Name 4,13-dibenzoyl[2.2]paracyclophane
Alternate Name(s) [12-benzoyltricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl](phenyl)methanone
CAS Registry Number 124618-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H24O2
InChI InChI=1S/C30H24O2/c31-29(25-7-3-1-4-8-25)27-19-21-11-12-22-14-16-24(18-17-23(27)15-13-21)28(20-22)30(32)26-9-5-2-6-10-26/h1-10,13-16,19-20H,11-12,17-18H2
InChIKey JXLMTNOZVRRWKJ-UHFFFAOYSA-N
Molecular Weight 416.520 g/mol
SMILES c1(C(=O)c2ccccc2)c2CCc3c(C(=O)c4ccccc4)cc(CCc(c1)cc2)cc3
SPLASH splash10-0a4j-6790200000-5cb50e15296e369f11d4
Source of Spectrum J-55-1362-5
Wiley ID 1376724