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4-t-Butylphenyl 4-t-butylcyclohex-1-enecarboxylate
SpectraBase Compound ID 9huhtAzUkYi
InChI InChI=1S/C21H30O2/c1-20(2,3)16-9-7-15(8-10-16)19(22)23-18-13-11-17(12-14-18)21(4,5)6/h7,11-14,16H,8-10H2,1-6H3
InChIKey APVXMOKTVAXWKI-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4wT1quNHne
Name 4-t-Butylphenyl 4-t-butylcyclohex-1-enecarboxylate
Alternate Name(s) 4-tert-butylphenyl 4-tert-butyl-1-cyclohexene-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H30O2
InChI InChI=1S/C21H30O2/c1-20(2,3)16-9-7-15(8-10-16)19(22)23-18-13-11-17(12-14-18)21(4,5)6/h7,11-14,16H,8-10H2,1-6H3
InChIKey APVXMOKTVAXWKI-UHFFFAOYSA-N
Molecular Weight 314.469 g/mol
SMILES C(C1=CCC(C(C)(C)C)CC1)(Oc1ccc(C(C)(C)C)cc1)=O
SPLASH splash10-014i-0901000000-db6e425ca23ada85d070
Source of Spectrum F-51-11881-1
Wiley ID 794173