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4-Isopropyl-2-( 1'',3'-dimethoxy-2',2''-binaphthalen-1'-yl)-3-methyl-4,5-dihydrooxazolium iodide
SpectraBase Compound ID HvDHMoidfVC
InChI InChI=1S/C29H30NO3.HI/c1-18(2)24-17-33-29(30(24)3)26-21-12-8-6-10-19(21)14-15-23(26)27-25(31-4)16-20-11-7-9-13-22(20)28(27)32-5;/h6-16,18,24H,17H2,1-5H3;1H/q+1;/p-1
InChIKey HHDXKWWNTVBGSV-UHFFFAOYSA-M
Mol Weight 567.47 g/mol
Molecular Formula C29H30INO3
Exact Mass 567.127039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQ2TlXJaOsX
Name 4-Isopropyl-2-( 1'',3'-dimethoxy-2',2''-binaphthalen-1'-yl)-3-methyl-4,5-dihydrooxazolium iodide
Alternate Name(s) 2-[2-(1,3-dimethoxynaphthalen-2-yl)naphthalen-1-yl]-3-methyl-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-3-ium iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30INO3
InChI InChI=1S/C29H30NO3.HI/c1-18(2)24-17-33-29(30(24)3)26-21-12-8-6-10-19(21)14-15-23(26)27-25(31-4)16-20-11-7-9-13-22(20)28(27)32-5;/h6-16,18,24H,17H2,1-5H3;1H/q+1;/p-1
InChIKey HHDXKWWNTVBGSV-UHFFFAOYSA-M
Molecular Weight 567.467 g/mol
SMILES [I-].C1(=[N+](C(CO1)C(C)C)C)c1c(-c2c(c3ccccc3cc2OC)OC)ccc2c1cccc2
SPLASH splash10-0006-0119220000-e95c734eb6a51132bce8
Source of Spectrum B-53-932-0
Wiley ID 810961