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8,8-Dimethyl-2-oxooctahydro-3A,7-ethanoindene-4-carboxylic acid

View entire compound with spectra: 1 NMR

8,8-Dimethyl-2-oxooctahydro-3A,7-ethanoindene-4-carboxylic acid
SpectraBase Compound ID LsUPbDQn2SD
InChI InChI=1S/C14H20O3/c1-13(2)7-14-6-8(15)5-11(14)9(13)3-4-10(14)12(16)17/h9-11H,3-7H2,1-2H3,(H,16,17)/t9-,10?,11?,14+/m0/s1
InChIKey RBEOLCQUJOIXDY-JSRZKYIESA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID OzSM8TwTXX
Name 8,8-Dimethyl-2-oxooctahydro-3A,7-ethanoindene-4-carboxylic acid
Comments Computed using HOSE algorithm
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Exact Mass 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-13(2)7-14-6-8(15)5-11(14)9(13)3-4-10(14)12(16)17/h9-11H,3-7H2,1-2H3,(H,16,17)/t9-,10?,11?,14+/m0/s1
InChIKey RBEOLCQUJOIXDY-JSRZKYIESA-N
Molecular Weight 236.311 g/mol
SMILES C12[C@]3(C(CC[C@@]2(C(C3)(C)C)[H])C(=O)O)CC(C1)=O