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2,6-Ditert-butyl-4-methylphenyl 1-iodocyclopropanecarboxylate
SpectraBase Compound ID 2zgOzW0hPiQ
InChI InChI=1S/C19H27IO2/c1-12-10-13(17(2,3)4)15(14(11-12)18(5,6)7)22-16(21)19(20)8-9-19/h10-11H,8-9H2,1-7H3
InChIKey FYKLIWWWPHWMHN-UHFFFAOYSA-N
Mol Weight 414.33 g/mol
Molecular Formula C19H27IO2
Exact Mass 414.105575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kc8jJ1q88y
Name 2,6-Ditert-butyl-4-methylphenyl 1-iodocyclopropanecarboxylate
Alternate Name(s) (2,6-ditert-butyl-4-methyl-phenyl) 1-iodanylcyclopropane-1-carboxylate (2,6-ditert-butyl-4-methylphenyl) 1-iodocyclopropane-1-carboxylate 1-Iodocyclopropanecarboxylic acid, 2,6-di-t-butyl-4-methyl-phenyl ester 1-iodo-1-cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methylphenyl) ester (2,6-ditert-butyl-4-methyl-phenyl) 1-iodocyclopropanecarboxylate 1-iodocyclopropanecarboxylic acid (2,6-ditert-butyl-4-methyl-phenyl) ester
CAS Registry Number 108546-76-5
Comments Less than 3 mono-isotopic peaks
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Formula C19H27IO2
InChI InChI=1S/C19H27IO2/c1-12-10-13(17(2,3)4)15(14(11-12)18(5,6)7)22-16(21)19(20)8-9-19/h10-11H,8-9H2,1-7H3
InChIKey FYKLIWWWPHWMHN-UHFFFAOYSA-N
Molecular Weight 414.327 g/mol
SMILES Cc1cc(c(c(c1)C(C)(C)C)OC(=O)C1(CC1)I)C(C)(C)C
SPLASH splash10-0002-0900000000-7f5f46ea7e246b717e7c
Source of Spectrum H-69-1661-15
Wiley ID 1375235