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14,15,16,17-Tetradehydro-13,18-dimethyl-1,6-methano[26]annulene-9,22-dione
SpectraBase Compound ID JcIzJtFuwUp
InChI InChI=1S/C29H24O2/c1-24-11-3-4-12-25(2)14-10-20-29(31)22-21-27-17-6-5-15-26(23-27)16-7-8-18-28(30)19-9-13-24/h5-10,13-22H,23H2,1-2H3/b16-7-,18-8-,19-9-,20-10-,22-21-,24-13-,25-14-
InChIKey ZDFALOPEBZYBDN-SXSIZMOBSA-N
Mol Weight 404.51 g/mol
Molecular Formula C29H24O2
Exact Mass 404.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lqa41BphhkD
Name 14,15,16,17-Tetradehydro-13,18-dimethyl-1,6-methano[26]annulene-9,22-dione
Alternate Name(s) 8,13-dimethylbicyclo[20.4.1]heptacosa-1(26),2,5,7,13,15,18,20,22,24-decaene-9,11-diyne-4,17-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24O2
InChI InChI=1S/C29H24O2/c1-24-11-3-4-12-25(2)14-10-20-29(31)22-21-27-17-6-5-15-26(23-27)16-7-8-18-28(30)19-9-13-24/h5-10,13-22H,23H2,1-2H3/b16-7-,18-8-,19-9-,20-10-,22-21-,24-13-,25-14-
InChIKey ZDFALOPEBZYBDN-SXSIZMOBSA-N
Molecular Weight 404.509 g/mol
SMILES C#1C#C\C(=C/C=C\C(\C=C/C=C\C=2CC(\C=C/C(\C=C/C=C\(C1)C)=O)=CC=CC2)=O)C
SPLASH splash10-014i-0900400000-79078db10892d771e2fb
Source of Spectrum KC-1993-97-6
Wiley ID 778667