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1,2-(N-benzoylaziridino)[60]fullerene

View entire compound with spectra: 1 MS (GC)

1,2-(N-benzoylaziridino)[60]fullerene
SpectraBase Compound ID AWgNP7JZFDP
InChI InChI=1S/C67H5NO/c69-65(6-4-2-1-3-5-6)68-66-61-54-47-35-27-18-9-7-8-10-13(9)22-29(27)37-38-30(22)28-19(10)21-17-12(8)15-14-11(7)16-20(18)33(35)41-39-25(16)23(14)31-32-24(15)26(17)40-42-34(21)36(28)48-50(38)59(58(61)49(37)47)62-55(48)53(42)57-46(40)44(32)51-43(31)45(39)56(52(41)54)63(66)60(51)64(57)67(62,66)68/h1-5H
InChIKey NTMAISSYQBRUQI-UHFFFAOYSA-N
Mol Weight 839.8 g/mol
Molecular Formula C67H5NO
Exact Mass 839.037114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIOkc8HbSjf
Name 1,2-(N-benzoylaziridino)[60]fullerene
Comments Less than 3 mono-isotopic peaks
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Formula C67H5NO
InChI InChI=1S/C67H5NO/c69-65(6-4-2-1-3-5-6)68-66-61-54-47-35-27-18-9-7-8-10-13(9)22-29(27)37-38-30(22)28-19(10)21-17-12(8)15-14-11(7)16-20(18)33(35)41-39-25(16)23(14)31-32-24(15)26(17)40-42-34(21)36(28)48-50(38)59(58(61)49(37)47)62-55(48)53(42)57-46(40)44(32)51-43(31)45(39)56(52(41)54)63(66)60(51)64(57)67(62,66)68/h1-5H
InChIKey NTMAISSYQBRUQI-UHFFFAOYSA-N
Molecular Weight 839.783 g/mol
SMILES [c]123[c]4(c5c6c7c8c9c%10c%11c%12c%13c%14c(c4c4c%15c1c1c%16c%17c%18c%19c%20c%21c%22c%18c(c(c%22c%13c%11c%21c%11c%20c%13c%18c%20c%21c%22c(c3c5c3c7c5c9c(c%10%11)c%13c%20c5c%223)c1c%21c%17c%19%18)c%144)c%15%16)c6c8%12)N2C(=O)c1ccccc1
SPLASH splash10-00di-0000000910-378abb1cf6fb29329d7d
Source of Spectrum F-51-2549-3
Wiley ID 791230