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9,10,11,12-Tetraphenylindeno-corrannulene
SpectraBase Compound ID Kuo1ZdlCTSE
InChI InChI=1S/C50H28/c1-5-13-29(14-6-1)39-40(30-15-7-2-8-16-30)44(32-19-11-4-12-20-32)49-38-28-36-26-24-34-22-21-33-23-25-35-27-37(48(49)43(39)31-17-9-3-10-18-31)47(38)50-45(35)41(33)42(34)46(36)50/h1-28H
InChIKey KGQIEHUERSTPSB-UHFFFAOYSA-N
Mol Weight 628.8 g/mol
Molecular Formula C50H28
Exact Mass 628.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HI1XSfzvOTJ
Name 9,10,11,12-Tetraphenylindeno-corrannulene
Comments Less than 3 mono-isotopic peaks
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Formula C50H28
InChI InChI=1S/C50H28/c1-5-13-29(14-6-1)39-40(30-15-7-2-8-16-30)44(32-19-11-4-12-20-32)49-38-28-36-26-24-34-22-21-33-23-25-35-27-37(48(49)43(39)31-17-9-3-10-18-31)47(38)50-45(35)41(33)42(34)46(36)50/h1-28H
InChIKey KGQIEHUERSTPSB-UHFFFAOYSA-N
Molecular Weight 628.774 g/mol
SMILES c1-2c(-c3cc4ccc5c6c4c4c3c2cc2c4c6c(cc2)cc5)c(-c2ccccc2)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
SPLASH splash10-004i-0000009000-3a360960a856bbea031b
Source of Spectrum C-128-6883-28a
Wiley ID 1701712