1,2-[1,3]epi-4,5-oxycyclopentano][60]fullerene

SpectraBase Compound ID	CVX9sSdmSEZ
InChI	InChI=1S/C65H64O/c1-2-62-63(66-62)3(1)65-59-52-45-33-25-16-7-5-4-6-10(7)19-26-24-15(6)17-13-8(4)11-12-9(5)14-18(16)31(33)39-37-23(14)21(12)29-28-20(11)22(13)36-38-30(17)32(24)44-46-34(26)35(27(19)25)47(45)56(59)55(46)58-51(44)49(38)53-42(36)40(28)48-41(29)43(37)54(50(39)52)61(65)57(48)60(53)64(2,58)65/h2-63H,1H2
InChIKey	AGBXQUAFGTYLSJ-UHFFFAOYSA-N Google Search
Mol Weight	861.2 g/mol
Molecular Formula	C65H64O
Exact Mass	860.495717 g/mol

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SpectraBase Spectrum ID	GmsVB0Q4olp
Name	1,2-[1,3]epi-4,5-oxycyclopentano][60]fullerene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C65H64O
InChI	InChI=1S/C65H64O/c1-2-62-63(66-62)3(1)65-59-52-45-33-25-16-7-5-4-6-10(7)19-26-24-15(6)17-13-8(4)11-12-9(5)14-18(16)31(33)39-37-23(14)21(12)29-28-20(11)22(13)36-38-30(17)32(24)44-46-34(26)35(27(19)25)47(45)56(59)55(46)58-51(44)49(38)53-42(36)40(28)48-41(29)43(37)54(50(39)52)61(65)57(48)60(53)64(2,58)65/h2-63H,1H2
InChIKey	AGBXQUAFGTYLSJ-UHFFFAOYSA-N
Molecular Weight	861.226 g/mol
SMILES	C123C4(C5C6C7C8C9C%10C%11C8C8C6C6C4C4C1C1C%12C%13C%14C%15C%16C%17C%18C(C%19C%20C%21C%22C(C4C4C1C%13C%16C(C%17%20)C%224)C6C8C%21C%11%19)C%10C1C4C6C8C%10C(C2C%12C%10C%14C6C%15C%181)C5C7C8C94)C1CC3C2C1O2
SPLASH	splash10-0080-9000000200-75e4553acf786bdfe8a3
Source of Spectrum	KC-20-2127-0
Wiley ID	821592