1,2-[N-(4-cyanobenzoyl)aziridino][60]fullerene

SpectraBase Compound ID	Jy1wpfzZ2pi
InChI	InChI=1S/C68H4N2O/c69-5-6-1-3-7(4-2-6)66(71)70-67-62-55-48-36-28-19-10-8-9-11-14(10)23-30(28)38-39-31(23)29-20(11)22-18-13(9)16-15-12(8)17-21(19)34(36)42-40-26(17)24(15)32-33-25(16)27(18)41-43-35(22)37(29)49-51(39)60(59(62)50(38)48)63-56(49)54(43)58-47(41)45(33)52-44(32)46(40)57(53(42)55)64(67)61(52)65(58)68(63,67)70/h1-4H
InChIKey	UDNOYGZWMDKLTL-UHFFFAOYSA-N Google Search
Mol Weight	864.8 g/mol
Molecular Formula	C68H4N2O
Exact Mass	864.032363 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	1o5rnpgUdli
Name	1,2-[N-(4-cyanobenzoyl)aziridino][60]fullerene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C68H4N2O
InChI	InChI=1S/C68H4N2O/c69-5-6-1-3-7(4-2-6)66(71)70-67-62-55-48-36-28-19-10-8-9-11-14(10)23-30(28)38-39-31(23)29-20(11)22-18-13(9)16-15-12(8)17-21(19)34(36)42-40-26(17)24(15)32-33-25(16)27(18)41-43-35(22)37(29)49-51(39)60(59(62)50(38)48)63-56(49)54(43)58-47(41)45(33)52-44(32)46(40)57(53(42)55)64(67)61(52)65(58)68(63,67)70/h1-4H
InChIKey	UDNOYGZWMDKLTL-UHFFFAOYSA-N
Molecular Weight	864.793 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(c1ccc(C#N)cc1)=O
SPLASH	splash10-00di-0000000940-82cabb96d74fd69ef633
Source of Spectrum	F-51-2549-3
Wiley ID	791231