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3,4-Dimethylnaphtho[2",3",:3',4']cyclobuta[1',2':6',7]cycloocta[1,2,3,4-def]biphenylene
SpectraBase Compound ID 4UZvYZ8HzV1
InChI InChI=1S/C28H18/c1-15-9-10-17-11-23-24-12-18-5-3-7-20-21-8-4-6-19(28(21)27(18)20)13-25(24)26(23)14-22(17)16(15)2/h3-14H,1-2H3/b18-12-,19-13-,24-12-,25-13+
InChIKey JDPRGNAYECRMJB-ZXYZPURESA-N
Mol Weight 354.45 g/mol
Molecular Formula C28H18
Exact Mass 354.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLPZA9gekE8
Name 3,4-Dimethylnaphtho[2",3",:3',4']cyclobuta[1',2':6',7]cycloocta[1,2,3,4-def]biphenylene
Alternate Name(s) 9,10-dimethylnaphtho[2'',3'':3',4']cyclobuta[1',2':6,7]cycloocta[1,2,3,4-def]biphenylene
CAS Registry Number 94202-55-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H18
InChI InChI=1S/C28H18/c1-15-9-10-17-11-23-24-12-18-5-3-7-20-21-8-4-6-19(28(21)27(18)20)13-25(24)26(23)14-22(17)16(15)2/h3-14H,1-2H3/b18-12-,19-13-,24-12-,25-13+
InChIKey JDPRGNAYECRMJB-ZXYZPURESA-N
Molecular Weight 354.452 g/mol
SMILES c12\C=C/3\C(=C/c4c-5c(-c(ccc2)c15)ccc4)c1c3cc2c(c1)ccc(c2C)C
SPLASH splash10-0udi-2109000000-e46b08f757400812aa1e
Source of Spectrum J-50-352-6
Wiley ID 1345063