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(1R)-2-[(1E)-1-[(1R,5S)-6,6-dimethyl-3-oxo-4-bicyclo[3.1.0]hexanylidene]ethyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate

View entire compound with spectra: 1 MS (GC)

(1R)-2-[(1E)-1-[(1R,5S)-6,6-dimethyl-3-oxo-4-bicyclo[3.1.0]hexanylidene]ethyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate
SpectraBase Compound ID LWKajFcssyW
InChI InChI=1S/C21H27NO3/c1-11-14-9-18(25-5)16(23)8-13(14)6-7-22(11)12(2)19-17(24)10-15-20(19)21(15,3)4/h8-9,11,15,20,23H,6-7,10H2,1-5H3/b19-12-/t11-,15-,20-/m1/s1
InChIKey KJMAECMWADQLQD-ZAFDRSKGSA-N
Mol Weight 341.45 g/mol
Molecular Formula C21H27NO3
Exact Mass 341.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjuAYAWtz04
Name (1R)-2-[(1E)-1-[(1R,5S)-6,6-dimethyl-3-oxo-4-bicyclo[3.1.0]hexanylidene]ethyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate
Alternate Name(s) (1R)-2-[(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate (1R)-2-[(1E)-1-[(1S,5R)-6,6-dimethyl-3-oxidanylidene-2-bicyclo[3.1.0]hexanylidene]ethyl]-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-6-olate
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Formula C21H27NO3
InChI InChI=1S/C21H27NO3/c1-11-14-9-18(25-5)16(23)8-13(14)6-7-22(11)12(2)19-17(24)10-15-20(19)21(15,3)4/h8-9,11,15,20,23H,6-7,10H2,1-5H3/b19-12-/t11-,15-,20-/m1/s1
InChIKey KJMAECMWADQLQD-ZAFDRSKGSA-N
Molecular Weight 341.451 g/mol
SMILES Oc1cc2CCN(\C(=C/3[C@@]4(C(C)(C)[C@]4([H])CC3=O)[H])C)[C@@](c2cc1OC)(C)[H]
SPLASH splash10-002f-1539000000-79a02b3cabcfb5a61ad6
Source of Spectrum KD-14-237-5
Wiley ID 1635784