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Cyclopropanecarboxylic acid, 2-methyl-1-(phenylmethyl)-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
SpectraBase Compound ID IRSHx1oQZwM
InChI InChI=1S/C27H36O2/c1-18-14-21(25(3,4)5)23(22(15-18)26(6,7)8)29-24(28)27(16-19(27)2)17-20-12-10-9-11-13-20/h9-15,19H,16-17H2,1-8H3
InChIKey UHDYEASLTXXLRF-UHFFFAOYSA-N
Mol Weight 392.6 g/mol
Molecular Formula C27H36O2
Exact Mass 392.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rIoH4oyvD1
Name Cyclopropanecarboxylic acid, 2-methyl-1-(phenylmethyl)-, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
Alternate Name(s) 2,6-Ditert-butyl-4-methylphenyl 1-benzyl-2-methylcyclopropanecarboxylate (2,6-ditert-butyl-4-methyl-phenyl) 2-methyl-1-(phenylmethyl)cyclopropane-1-carboxylate (2,6-ditert-butyl-4-methylphenyl) 1-benzyl-2-methylcyclopropane-1-carboxylate 1-benzyl-2-methyl-cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methyl-phenyl) ester 2-methyl-1-(phenylmethyl)-1-cyclopropanecarboxylic acid (2,6-ditert-butyl-4-methylphenyl) ester
CAS Registry Number 108546-85-6
Comments Less than 3 mono-isotopic peaks
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Formula C27H36O2
InChI InChI=1S/C27H36O2/c1-18-14-21(25(3,4)5)23(22(15-18)26(6,7)8)29-24(28)27(16-19(27)2)17-20-12-10-9-11-13-20/h9-15,19H,16-17H2,1-8H3
InChIKey UHDYEASLTXXLRF-UHFFFAOYSA-N
Molecular Weight 392.583 g/mol
SMILES c1cc(ccc1)CC1(C(C1)C)C(=O)Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C
SPLASH splash10-00di-0900000000-e90bff115e9520bdb229
Source of Spectrum H-69-1663-27
Wiley ID 1366084