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Methyl 2,4-di-tert-butylbicyclo[2.2.1]hept-2-en-7-one-5-carboxylate
SpectraBase Compound ID 6Rhypnvo4RO
InChI InChI=1S/C17H26O3/c1-15(2,3)12-9-17(16(4,5)6)11(14(19)20-7)8-10(12)13(17)18/h9-11H,8H2,1-7H3/t10-,11?,17+/m1/s1
InChIKey XKNNRYCIUVZNJT-NDXCPEPRSA-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 30vHkaoXN17
Name Methyl 2,4-di-tert-butylbicyclo[2.2.1]hept-2-en-7-one-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-15(2,3)12-9-17(16(4,5)6)11(14(19)20-7)8-10(12)13(17)18/h9-11H,8H2,1-7H3/t10-,11?,17+/m1/s1
InChIKey XKNNRYCIUVZNJT-NDXCPEPRSA-N
Molecular Weight 278.392 g/mol
SMILES [C@@]12(C([C@@](C(=C2)C(C)(C)C)(CC1C(=O)OC)[H])=O)C(C)(C)C
SPLASH splash10-0kbu-3930000000-c9be87384147ebe9b025
Source of Spectrum QA-42-3-4
Synonyms Methyl 1,5-ditert-butyl-7-oxobicyclo[2.2.1]hept-5-ene-2-carboxylate
Wiley ID 862036