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1',2',3',4'-Tetrahydro-6',8'-diphenylquinazolino[2',3':1,2][60]fullerene
SpectraBase Compound ID 3CzhCITfxRv
InChI InChI=1S/C78H14N2/c1-3-7-13(8-4-1)75-15-11-77-71-64-57-45-37-28-19-17-18-20-23(19)32-39(37)47-48-40(32)38-29(20)31-27-22(18)25-24-21(17)26-30(28)43(45)51-49-35(26)33(24)41-42-34(25)36(27)50-52-44(31)46(38)58-60(48)69(68(71)59(47)57)72-65(58)63(52)67-56(50)54(42)61-53(41)55(49)66(62(51)64)73(77)70(61)74(67)78(72,77)12-16(15)79-76(80-75)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey CURWNQRAQWLVOO-UHFFFAOYSA-N
Mol Weight 979.0 g/mol
Molecular Formula C78H14N2
Exact Mass 978.115698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbKoehHAFYw
Name 1',2',3',4'-Tetrahydro-6',8'-diphenylquinazolino[2',3':1,2][60]fullerene
Comments Less than 3 mono-isotopic peaks
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Formula C78H14N2
InChI InChI=1S/C78H14N2/c1-3-7-13(8-4-1)75-15-11-77-71-64-57-45-37-28-19-17-18-20-23(19)32-39(37)47-48-40(32)38-29(20)31-27-22(18)25-24-21(17)26-30(28)43(45)51-49-35(26)33(24)41-42-34(25)36(27)50-52-44(31)46(38)58-60(48)69(68(71)59(47)57)72-65(58)63(52)67-56(50)54(42)61-53(41)55(49)66(62(51)64)73(77)70(61)74(67)78(72,77)12-16(15)79-76(80-75)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey CURWNQRAQWLVOO-UHFFFAOYSA-N
Molecular Weight 978.984 g/mol
SMILES [c]123[c]4(c5c6c7c8c9c%10c%11c%12c8c6c6c4c4c8c1c1c%13c%14c%15c%16c%17c%18c(c%10c%10c9c9c7c7c5c2c2c5c7c9c7c%10c%18c9c7c5c(c%14c%169)c12)c1c%17c2c%15c(c5c2c(c%12c6c45)c%111)c8%13)Cc1c(C3)c(nc(-c2ccccc2)n1)-c1ccccc1
SPLASH splash10-00fr-0000000709-16f953ca1886645d6644
Source of Spectrum J-63-6812-17
Wiley ID 1418337