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DEGLUCOPTEROCEREINE-N-OXIDE

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DEGLUCOPTEROCEREINE-N-OXIDE
SpectraBase Compound ID CkTwLDVfpA2
InChI InChI=1S/C13H19NO5/c1-14(17)5-4-8-9(10(14)7-15)6-11(18-2)13(19-3)12(8)16/h6,10,15-16H,4-5,7H2,1-3H3
InChIKey LRJHVWWITVQYQX-UHFFFAOYSA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64PsyNKnrvE
Name 1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-2-oxidanidyl-3,4-dihydro-1H-isoquinolin-2-ium-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-14(17)5-4-8-9(10(14)7-15)6-11(18-2)13(19-3)12(8)16/h6,10,15-16H,4-5,7H2,1-3H3
InChIKey LRJHVWWITVQYQX-UHFFFAOYSA-N
Molecular Weight 269.297 g/mol
SMILES Oc1c2CC[N+](C(CO)c2cc(c1OC)OC)([O-])C
SPLASH splash10-00di-0090000000-76f134937b4d815f85d7
Source of Spectrum X2-49-762-60
Synonyms 1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-5-ol 6,7-Dimethoxy-2-methyl-1-methylol-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-5-ol
Wiley ID 1602040