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Methyl (1R,3aR)-1-(pyridin-3-ylmethyl)-1,6,6-trimethylhexahydroindene-3a-carboxylate
SpectraBase Compound ID EWnEefO9NJ0
InChI InChI=1S/C20H27NO2/c1-18(2)7-9-20(17(22)23-4)10-8-19(3,16(20)13-18)12-15-6-5-11-21-14-15/h5-6,11,13-14H,7-10,12H2,1-4H3/t19-,20-/m1/s1
InChIKey RQDXDYYLPINIGU-WOJBJXKFSA-N
Mol Weight 313.44 g/mol
Molecular Formula C20H27NO2
Exact Mass 313.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrUKrKkW2DW
Name Methyl (1R,3aR)-1-(pyridin-3-ylmethyl)-1,6,6-trimethylhexahydroindene-3a-carboxylate
Alternate Name(s) Methyl (1R,3aR)-1,6,6-trimethyl-1-(3-pyridinylmethyl)-1,2,3,4,5,6-hexahydro-3aH-indene-3a-carboxylate Methyl 1-(pyridin-3-ylmethyl)-1,6,6-trimethylhexahydroindene-3a-carboxylate
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Formula C20H27NO2
InChI InChI=1S/C20H27NO2/c1-18(2)7-9-20(17(22)23-4)10-8-19(3,16(20)13-18)12-15-6-5-11-21-14-15/h5-6,11,13-14H,7-10,12H2,1-4H3/t19-,20-/m1/s1
InChIKey RQDXDYYLPINIGU-WOJBJXKFSA-N
Molecular Weight 313.441 g/mol
SMILES C=12[C@](C(=O)OC)(CC[C@@]2(Cc2cnccc2)C)CCC(C1)(C)C
SPLASH splash10-03di-0920000000-27740dd125d520693fb1
Source of Spectrum F-53-11824-48
Wiley ID 803364