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1,3,5,7,13,15,17-Cyclononadecaheptaene-9,11-diyne, 19-(2,4-cyclopentadien-1-ylidene)-8,13-dimethyl-, (E,E,Z,Z,E,E,E)-
SpectraBase Compound ID DVw6KVptTwk
InChI InChI=1S/C26H22/c1-23-15-7-4-3-5-9-19-25(26-21-13-14-22-26)20-10-6-8-16-24(2)18-12-11-17-23/h3-10,13-16,19-22H,1-2H3/b5-3+,7-4-,8-6+,19-9+,20-10+,23-15-,24-16+
InChIKey FPGMWEFOOZFMMR-SFHDOZJFSA-N
Mol Weight 334.46 g/mol
Molecular Formula C26H22
Exact Mass 334.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9A2WWTMQZ8L
Name 1,3,5,7,13,15,17-Cyclononadecaheptaene-9,11-diyne, 19-(2,4-cyclopentadien-1-ylidene)-8,13-dimethyl-, (E,E,Z,Z,E,E,E)-
CAS Registry Number 90033-27-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22
InChI InChI=1S/C26H22/c1-23-15-7-4-3-5-9-19-25(26-21-13-14-22-26)20-10-6-8-16-24(2)18-12-11-17-23/h3-10,13-16,19-22H,1-2H3/b5-3+,7-4-,8-6+,19-9+,20-10+,23-15-,24-16+
InChIKey FPGMWEFOOZFMMR-SFHDOZJFSA-N
Molecular Weight 334.462 g/mol
SMILES C1(=C2C=CC=C2)\C=C\C=C\C=C/C=C\(C#CC#C\C(=C\C=C\C=C\1)C)C
SPLASH splash10-0udl-0009000000-b9622340e569c3342a53
Source of Spectrum AJ-59-1730-16
Synonyms 19-(2,4-cyclopentadien-1-ylidene)-8,13-dimethyl-1,3,5,7,13,15,17-cyclononadecaheptaene-9,11-diyne 7,12-Dimethyl-8,10-bisdehydropentanonadecafulvalene
Wiley ID 1331464