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(7,8,9-Trimethoxy-2,3,4,4a,5,6-hexahydrophenanthridin-4-yl)acetic acid
SpectraBase Compound ID K60kSsh5zeq
InChI InChI=1S/C18H21NO5/c1-22-13-7-11-9-19-16-10(8-14(20)21)5-4-6-12(16)15(11)18(24-3)17(13)23-2/h7,9-10H,4-6,8H2,1-3H3,(H,20,21)
InChIKey JCVPZLODODDQIY-UHFFFAOYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C18H21NO5
Exact Mass 331.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Dwe7TMjqaQ
Name (7,8,9-Trimethoxy-2,3,4,4a,5,6-hexahydrophenanthridin-4-yl)acetic acid
Alternate Name(s) (8,9,10-Trimethoxy-1,2,3,4-tetrahydro-phenanthridin-4-yl)-acetic acid 2-(8,9,10-trimethoxy-1,2,3,4-tetrahydrophenanthridin-4-yl)ethanoic acid
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Formula C18H21NO5
InChI InChI=1S/C18H21NO5/c1-22-13-7-11-9-19-16-10(8-14(20)21)5-4-6-12(16)15(11)18(24-3)17(13)23-2/h7,9-10H,4-6,8H2,1-3H3,(H,20,21)
InChIKey JCVPZLODODDQIY-UHFFFAOYSA-N
Molecular Weight 331.368 g/mol
SMILES OC(CC1c2c(c3c(c(c(cc3cn2)OC)OC)OC)CCC1)=O
SPLASH splash10-000i-0091000000-9fea8d4e4f6395b20d0a
Source of Spectrum J-62-9312-16
Wiley ID 1328712