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5,6,7-Trimethoxy-1-(2-hydroxy-4-oxa-5-oxocyclopentenyl)-3,4-dihydroisoquinoline
SpectraBase Compound ID IdDoKsedc69
InChI InChI=1S/C16H19NO6/c1-20-11-6-9-8(14(21-2)15(11)22-3)4-5-17-13(9)12-10(18)7-23-16(12)19/h6,13,17-18H,4-5,7H2,1-3H3
InChIKey XQKKBTCAEOOLNW-UHFFFAOYSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGBknBbKkcl
Name 5,6,7-Trimethoxy-1-(2-hydroxy-4-oxa-5-oxocyclopentenyl)-3,4-dihydroisoquinoline
Comments Less than 3 mono-isotopic peaks
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Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-20-11-6-9-8(14(21-2)15(11)22-3)4-5-17-13(9)12-10(18)7-23-16(12)19/h6,13,17-18H,4-5,7H2,1-3H3
InChIKey XQKKBTCAEOOLNW-UHFFFAOYSA-N
Molecular Weight 321.329 g/mol
SMILES N1CCc2c(C1C1=C(COC1=O)O)cc(c(c2OC)OC)OC
SPLASH splash10-0ab9-0090000000-b9c241ce893fde48d061
Source of Spectrum SO-0-476-4
Synonyms 3-oxidanyl-4-(5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2H-furan-5-one
Wiley ID 1539326