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(1R,2R)-1-(4-hydroxybenzyl)-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol

View entire compound with spectra: 1 MS (GC)

(1R,2R)-1-(4-hydroxybenzyl)-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
SpectraBase Compound ID Afa1PvSUtn8
InChI InChI=1S/C17H19NO4/c1-18(22)7-6-12-9-16(20)17(21)10-14(12)15(18)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,19-21H,6-8H2,1H3/t15-,18-/m1/s1
InChIKey NBVMNDIZMDPDMC-CRAIPNDOSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ewM8Vfrng
Name (1R,2R)-1-(4-hydroxybenzyl)-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
Alternate Name(s) (1R,2R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol (1R,2R)-1-[(4-hydroxyphenyl)methyl]-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol
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Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-18(22)7-6-12-9-16(20)17(21)10-14(12)15(18)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,19-21H,6-8H2,1H3/t15-,18-/m1/s1
InChIKey NBVMNDIZMDPDMC-CRAIPNDOSA-N
Molecular Weight 301.342 g/mol
SMILES Oc1cc2[C@@](Cc3ccc(cc3)O)([N@@+](CCc2cc1O)([O-])C)[H]
SPLASH splash10-002f-0790000000-db2e39bde5376b9ec932
Source of Spectrum G4-62-1027-2
Wiley ID 1607967