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TRANS-(+/-)-LAUDANOSINE-N-OXIDE243

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TRANS-(+/-)-LAUDANOSINE-N-OXIDE243
SpectraBase Compound ID DNQPENiEbwS
InChI InChI=1S/C21H27NO5/c1-22(23)9-8-15-12-20(26-4)21(27-5)13-16(15)17(22)10-14-6-7-18(24-2)19(11-14)25-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-,22+/m1/s1
InChIKey UIZDHKLEBRKVEW-VGSWGCGISA-N
Mol Weight 373.45 g/mol
Molecular Formula C21H27NO5
Exact Mass 373.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CJN3UV1kbA
Name (1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium
Alternate Name(s) (1R,2S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium (1R,2S)-6,7-dimethoxy-2-methyl-2-oxido-1-veratryl-3,4-dihydro-1H-isoquinolin-2-ium
CAS Registry Number 74904-66-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO5
InChI InChI=1S/C21H27NO5/c1-22(23)9-8-15-12-20(26-4)21(27-5)13-16(15)17(22)10-14-6-7-18(24-2)19(11-14)25-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-,22+/m1/s1
InChIKey UIZDHKLEBRKVEW-VGSWGCGISA-N
Molecular Weight 373.449 g/mol
SMILES [C@]1([N@+](CCc2cc(c(cc12)OC)OC)([O-])C)(Cc1cc(OC)c(cc1)OC)[H]
SPLASH splash10-0a4i-0394000000-4fdbc75aa1f40ff80569
Source of Spectrum B-33-390-0
Wiley ID 1356131