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Setigerine
SpectraBase Compound ID 7y1k8POie7r
InChI InChI=1S/C21H23NO5/c1-23-16-7-6-14(11-17(16)24-2)21(27-5)20-15-12-19(26-4)18(25-3)10-13(15)8-9-22-20/h6-12,21H,1-5H3
InChIKey MNBJQMJWRBOBEX-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H1Sx2OnAaT8
Name Setigerine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-23-16-7-6-14(11-17(16)24-2)21(27-5)20-15-12-19(26-4)18(25-3)10-13(15)8-9-22-20/h6-12,21H,1-5H3
InChIKey MNBJQMJWRBOBEX-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES c1(c2cc(OC)c(cc2ccn1)OC)C(c1cc(OC)c(cc1)OC)OC
SPLASH splash10-0a4i-9313000000-970d18f829ef6a762c95
Source of Spectrum F-65-1191-2
Synonyms 1-[Methoxy-(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline 1-[(3,4-dimethoxyphenyl)-methoxy-methyl]-6,7-dimethoxy-isoquinoline 1-[(3,4-dimethoxyphenyl)-methoxymethyl]-6,7-dimethoxyisoquinoline
Wiley ID 1681912