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(trans)-15-(sec)-butyl-16-methyl-1,4,8,11-ethanediylidene[14]annulene
SpectraBase Compound ID 9ceh2eIQnFX
InChI InChI=1S/C21H22/c1-4-15(2)21-18-9-5-7-16-11-12-17(20(16,21)3)8-6-10-19(21)14-13-18/h5-15H,4H2,1-3H3/t15?,20-,21+
InChIKey QQCLHOXWUYSQHD-ZKSIIRFLSA-N
Mol Weight 274.41 g/mol
Molecular Formula C21H22
Exact Mass 274.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5T7Z906dejS
Name (trans)-15-(sec)-butyl-16-methyl-1,4,8,11-ethanediylidene[14]annulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22
InChI InChI=1S/C21H22/c1-4-15(2)21-18-9-5-7-16-11-12-17(20(16,21)3)8-6-10-19(21)14-13-18/h5-15H,4H2,1-3H3/t15?,20-,21+
InChIKey QQCLHOXWUYSQHD-ZKSIIRFLSA-N
Molecular Weight 274.407 g/mol
SMILES [C@]12([C@@]3(C=4C=CC3=CC=CC1=CC=C2C=CC4)C)C(CC)C
SPLASH splash10-0udi-0090000000-d41d9622df8ee27c496a
Source of Spectrum K-125-512-2
Synonyms 10b-sec-butyl-10c-methyl-10b,10c-dihydrodicyclopenta[ef,kl]heptalene
Wiley ID 1278786