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2,6-Ditert-butyl-4-methylphenyl 1-allylcyclopropanecarboxylate
SpectraBase Compound ID 2VI2I7dS4yh
InChI InChI=1S/C22H32O2/c1-9-10-22(11-12-22)19(23)24-18-16(20(3,4)5)13-15(2)14-17(18)21(6,7)8/h9,13-14H,1,10-12H2,2-8H3
InChIKey AOJNQQDOFIWMIV-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C22H32O2
Exact Mass 328.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TLuzlgdbxP
Name 2,6-Ditert-butyl-4-methylphenyl 1-allylcyclopropanecarboxylate
Alternate Name(s) (2,6-ditert-butyl-4-methyl-phenyl) 1-prop-2-enylcyclopropane-1-carboxylate 1-Allyl-cyclopropanecarboxylic acid, 2,6-di-t-butyl-4-methyl-phenyl ester 1-allylcyclopropanecarboxylic acid (2,6-ditert-butyl-4-methyl-phenyl) ester 1-prop-2-enyl-1-cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methylphenyl) ester (2,6-ditert-butyl-4-methylphenyl) 1-prop-2-enylcyclopropane-1-carboxylate
CAS Registry Number 108546-69-6
Comments Less than 3 mono-isotopic peaks
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Formula C22H32O2
InChI InChI=1S/C22H32O2/c1-9-10-22(11-12-22)19(23)24-18-16(20(3,4)5)13-15(2)14-17(18)21(6,7)8/h9,13-14H,1,10-12H2,2-8H3
InChIKey AOJNQQDOFIWMIV-UHFFFAOYSA-N
Molecular Weight 328.496 g/mol
SMILES C1CC1(C(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)CC=C
SPLASH splash10-0a4i-0900000000-9e927092b63e4f73916f
Source of Spectrum H-69-1660-8
Wiley ID 1326801