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2'-[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyloxycarbonyl)-(2'R/S)-3',3'-dimethylbutanoic acid
SpectraBase Compound ID 3fKSO8iRU3k
InChI InChI=1S/C17H30O4/c1-10(2)12-8-7-11(3)9-13(12)21-16(20)14(15(18)19)17(4,5)6/h10-14H,7-9H2,1-6H3,(H,18,19)/t11-,12+,13-,14?/m1/s1
InChIKey MAIZODFJFDVLTH-RBKKPWLPSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOzdOHzRDID
Name 2'-[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyloxycarbonyl)-(2'R/S)-3',3'-dimethylbutanoic acid
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Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-10(2)12-8-7-11(3)9-13(12)21-16(20)14(15(18)19)17(4,5)6/h10-14H,7-9H2,1-6H3,(H,18,19)/t11-,12+,13-,14?/m1/s1
InChIKey MAIZODFJFDVLTH-RBKKPWLPSA-N
Instrument Name Finnigan MAT, Varian Saturn II
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.5
Molecular Weight 298.423 g/mol
SMILES OC(C(C(O[C@@]1(C[C@@](CC[C@]1(C(C)C)[H])(C)[H])[H])=O)C(C)(C)C)=O
SPLASH splash10-000i-4900000000-1de14ffd4e512495ce6b
Source of Spectrum BJO-13-SM11-14a/b
Wiley ID 1848314