1,2-[1,3]epi(1S,3R,4R,5S)-4,5-dibromocyclopentano][60]fullerene

SpectraBase Compound ID	GjQqcEsgpDP
InChI	InChI=1S/C65H64Br2/c66-62-2-1-3(63(62)67)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/t2-,3+,4+,5-,6-,7?,8?,9+,10-,11-,12+,13-,14-,15+,16+,17-,18-,19-,20?,21-,22+,23+,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40?,41-,42+,43+,44-,45-,46+,47-,48-,49-,50-,51+,52+,53-,54-,55-,56+,57?,58-,59+,60+,61+,62+,63-,64-,65+/m0/s1
InChIKey	JGFOLBJXYWKIKP-URUFTYIISA-N Google Search
Mol Weight	1005.0 g/mol
Molecular Formula	C65H64Br2
Exact Mass	1002.337478 g/mol

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SpectraBase Spectrum ID	BD6ttGwvF8k
Name	1,2-[1,3]epi(1S,3R,4R,5S)-4,5-dibromocyclopentano][60]fullerene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C65H64Br2
InChI	InChI=1S/C65H64Br2/c66-62-2-1-3(63(62)67)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/t2-,3+,4+,5-,6-,7?,8?,9+,10-,11-,12+,13-,14-,15+,16+,17-,18-,19-,20?,21-,22+,23+,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40?,41-,42+,43+,44-,45-,46+,47-,48-,49-,50-,51+,52+,53-,54-,55-,56+,57?,58-,59+,60+,61+,62+,63-,64-,65+/m0/s1
InChIKey	JGFOLBJXYWKIKP-URUFTYIISA-N
Molecular Weight	1005.035 g/mol
SMILES	C123C4(C5C6C7C8C9C%10C%11C8C8C6C6C4C4C1C1C%12C%13C%14C%15C%16C%17C%18C%19C(C%20C(C%21C%14C(C4%13)C6C8C%21C%11%20)C%15%18)C%10C4C6C8C%10C(C96)C7C5C5C2C2C(C6C8C(C%194)C%17C6C(C12)C%12%16)C%105)C1CC3C(C1Br)Br
SPLASH	splash10-014r-9000000100-2ad90399915e30e20362
Source of Spectrum	KC-20-2126-0
Wiley ID	821593