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object
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K4ruiQs2BZO
spectrumID
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K4ruiQs2BZO
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131072
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Mass Spectrum (GC)
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3,4-Dimethylbenzo[3',4']cyclobuta[1',2':6,7]cycloocta[1,2,3,4-def]biphenylene
SpectraBase Compound ID 6Stbzkdqq5h
InChI InChI=1S/C24H16/c1-13-9-10-19-20-11-15-5-3-7-17-18-8-4-6-16(24(18)23(15)17)12-21(20)22(19)14(13)2/h3-12H,1-2H3/b15-11-,16-12-,20-11-,21-12+
InChIKey FLKKRPRBDDTVIK-KKENCFPXSA-N
Mol Weight 304.39 g/mol
Molecular Formula C24H16
Exact Mass 304.125201 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4ruiQs2BZO
Name 3,4-Dimethylbenzo[3',4']cyclobuta[1',2':6,7]cycloocta[1,2,3,4-def]biphenylene
CAS Registry Number 94202-54-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H16
InChI InChI=1S/C24H16/c1-13-9-10-19-20-11-15-5-3-7-17-18-8-4-6-16(24(18)23(15)17)12-21(20)22(19)14(13)2/h3-12H,1-2H3/b15-11-,16-12-,20-11-,21-12+
InChIKey FLKKRPRBDDTVIK-KKENCFPXSA-N
Molecular Weight 304.392 g/mol
SMILES c12\C=C/3\C(=C/c4c-5c(-c(ccc2)c15)ccc4)c1c3ccc(c1C)C
SPLASH splash10-0udi-0209000000-2c8c7694ffd82fc596cc
Source of Spectrum J-50-352-5
Synonyms 8,9-Dimethylbenzo[3',4']cyclobuta[1',2':6,7]cycloocta[1,2,3,4-def]biphenylene
Wiley ID 1307073
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