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3,3-Dimethyl-2-phenyl-1-cyclopropene-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID L7v0kYh0McL
InChI InChI=1S/C16H20O2/c1-15(2,3)18-14(17)13-12(16(13,4)5)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKey AVTUHCSEAMTWOX-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gf3k9sZ6GLK
Name 3,3-dimethyl-2-phenyl-1-cyclopropenecarboxylic acid tert-butyl ester
Alternate Name(s) 3,3-dimethyl-2-phenyl-cyclopropene-1-carboxylic acid tert-butyl ester tert-butyl 3,3-dimethyl-2-phenyl-cyclopropene-1-carboxylate
CAS Registry Number 58486-15-0
Comments Less than 3 mono-isotopic peaks
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Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-15(2,3)18-14(17)13-12(16(13,4)5)11-9-7-6-8-10-11/h6-10H,1-5H3
InChIKey AVTUHCSEAMTWOX-UHFFFAOYSA-N
Molecular Weight 244.334 g/mol
SMILES C1(=C(c2ccccc2)C1(C)C)C(OC(C)(C)C)=O
SPLASH splash10-000l-0900000000-1facbc547e557191c5eb
Source of Spectrum K-111-3889-0
Wiley ID 1247426