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2-[(1R)-3-ketocyclohexyl]malonic acid ditert-butyl ester
SpectraBase Compound ID 7TNoGuozIgT
InChI InChI=1S/C17H28O5/c1-16(2,3)21-14(19)13(15(20)22-17(4,5)6)11-8-7-9-12(18)10-11/h11,13H,7-10H2,1-6H3/t11-/m1/s1
InChIKey PHLKBCVJYJEICD-LLVKDONJSA-N
Mol Weight 312.41 g/mol
Molecular Formula C17H28O5
Exact Mass 312.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8cgl4OXBUT
Name 2-[(1R)-3-ketocyclohexyl]malonic acid ditert-butyl ester
Alternate Name(s) 2-[(1R)-3-oxocyclohexyl]propanedioic acid ditert-butyl ester ditert-butyl 2-[(1R)-3-oxidanylidenecyclohexyl]propanedioate ditert-butyl 2-[(1R)-3-oxocyclohexyl]propanedioate
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Formula C17H28O5
InChI InChI=1S/C17H28O5/c1-16(2,3)21-14(19)13(15(20)22-17(4,5)6)11-8-7-9-12(18)10-11/h11,13H,7-10H2,1-6H3/t11-/m1/s1
InChIKey PHLKBCVJYJEICD-LLVKDONJSA-N
Molecular Weight 312.406 g/mol
SMILES C(C(C(OC(C)(C)C)=O)[C@]1(CC(=O)CCC1)[H])(OC(C)(C)C)=O
SPLASH splash10-0udi-0090000000-add308bf4fc36bbce2a5
Source of Spectrum J-61-3529-0
Wiley ID 1313275