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2'-Oxo-[1,1':1',1"]tercyclobutane-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID ConlbvLoDa6
InChI InChI=1S/C17H26O3/c1-15(2,3)20-14(19)16(9-5-10-16)17(11-8-13(17)18)12-6-4-7-12/h12H,4-11H2,1-3H3
InChIKey VRFWKGGCBDKXNR-UHFFFAOYSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIRVYIDxQKd
Name 2'-Oxo-[1,1':1',1"]tercyclobutane-1-carboxylic acid tert-butyl ester
Alternate Name(s) 2'-Oxo-[1,1':1',1'']tercyclobutane-1-carboxylic acid tert-butyl ester tert-butyl 1-(1-cyclobutyl-2-oxocyclobutyl)cyclobutane-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-15(2,3)20-14(19)16(9-5-10-16)17(11-8-13(17)18)12-6-4-7-12/h12H,4-11H2,1-3H3
InChIKey VRFWKGGCBDKXNR-UHFFFAOYSA-N
Molecular Weight 278.392 g/mol
SMILES C1(C2(C(OC(C)(C)C)=O)CCC2)(C(=O)CC1)C1CCC1
SPLASH splash10-0a4i-9300000000-7f91c3f362218a3fe902
Source of Spectrum F-55-3911-16
Wiley ID 837295