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m-Cresol, 6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-, acetate, (1S,2R)-(-)-
SpectraBase Compound ID H920MCxtbzQ
InChI InChI=1S/C17H22O2/c1-11-5-6-14(15(9-11)19-12(2)18)16(3)8-7-13-10-17(13,16)4/h5-6,9,13H,7-8,10H2,1-4H3/t13?,16-,17-/m0/s1
InChIKey WONQLSBVWXXLGQ-LMARGRMVSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iucm8wSB19a
Name m-Cresol, 6-(1,2-dimethylbicyclo[3.1.0]hex-2-yl)-, acetate, (1S,2R)-(-)-
Comments Computed using HOSE algorithm
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Exact Mass 258.161979946 u
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-11-5-6-14(15(9-11)19-12(2)18)16(3)8-7-13-10-17(13,16)4/h5-6,9,13H,7-8,10H2,1-4H3/t13?,16-,17-/m0/s1
InChIKey WONQLSBVWXXLGQ-LMARGRMVSA-N
Molecular Weight 258.361 g/mol
SMILES [C@]12([C@](C=3C(OC(=O)C)=CC(=CC3)C)(CCC1C2)C)C