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(R,4S)-4-ISOPROPYL-3-METHYL-2-(1',3',4'-TRIMETHYL-2,2'-BINAPHTHALEN-1-YL)-4,5-DIHYDROOXAZOLIUM-IODIDE
SpectraBase Compound ID BnoCANKexD2
InChI InChI=1S/C30H32NO.HI/c1-18(2)27-17-32-30(31(27)6)29-25-14-8-7-11-22(25)15-16-26(29)28-20(4)19(3)23-12-9-10-13-24(23)21(28)5;/h7-16,18,27H,17H2,1-6H3;1H/q+1;/p-1/t27-;/m1./s1
InChIKey GKXRJPSHQCEXSG-HZPIKELBSA-M
Mol Weight 549.5 g/mol
Molecular Formula C30H32INO
Exact Mass 549.15286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15rK36EkDu6
Name (S)-4-Isopropyl-3-methyl-2-(1",3",4"-trimethyl-2',2''-binaphthalen-1'-yl)-4,5-dihydrooxazolium iodide
Alternate Name(s) (4S)-3-methyl-4-(propan-2-yl)-2-[2-(1,3,4-trimethylnaphthalen-2-yl)naphthalen-1-yl]-4,5-dihydro-1,3-oxazol-3-ium iodide (R)-4-Isopropyl-3-methyl-2-(1'',3'',4''-trimethyl-2',2''-binaphthalen-1'-yl)-4,5-dihydrooxazolium iodide (S)-4-Isopropyl-3-methyl-2-(1'',3'',4''-trimethyl-2',2''-binaphthalen-1'-yl)-4,5-dihydrooxazolium iodide
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Formula C30H32INO
InChI InChI=1S/C30H32NO.HI/c1-18(2)27-17-32-30(31(27)6)29-25-14-8-7-11-22(25)15-16-26(29)28-20(4)19(3)23-12-9-10-13-24(23)21(28)5;/h7-16,18,27H,17H2,1-6H3;1H/q+1;/p-1/t27-;/m1./s1
InChIKey GKXRJPSHQCEXSG-HZPIKELBSA-M
Molecular Weight 549.496 g/mol
SMILES [I-].C1(=[N+]([C@](CO1)(C(C)C)[H])C)c1c(-c2c(c(C)c3c(c2C)cccc3)C)ccc2c1cccc2
SPLASH splash10-00b9-0915100000-6ddcb35e6fedd8c4ef56
Source of Spectrum B-53-937-0
Wiley ID 810939