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10-[2-(3,4-diethoxyphenyl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0(2,7)]trideca-2(7),3,5-triene-12-carboxylic acid
SpectraBase Compound ID 2ownjyxRiJ7
InChI InChI=1S/C25H29NO6/c1-4-30-20-11-10-16(14-21(20)31-5-2)12-13-26-23(27)22(24(28)29)18-15-25(26,3)32-19-9-7-6-8-17(18)19/h6-11,14,18,22H,4-5,12-13,15H2,1-3H3,(H,28,29)
InChIKey PBDBDEWPQZIOMJ-UHFFFAOYSA-N
Mol Weight 439.51 g/mol
Molecular Formula C25H29NO6
Exact Mass 439.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63eTAPV4OFK
Name 10-[2-(3,4-diethoxyphenyl)ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.0(2,7)]trideca-2(7),3,5-triene-12-carboxylic acid
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Formula C25H29NO6
InChI InChI=1S/C25H29NO6/c1-4-30-20-11-10-16(14-21(20)31-5-2)12-13-26-23(27)22(24(28)29)18-15-25(26,3)32-19-9-7-6-8-17(18)19/h6-11,14,18,22H,4-5,12-13,15H2,1-3H3,(H,28,29)
InChIKey PBDBDEWPQZIOMJ-UHFFFAOYSA-N
Molecular Weight 439.508 g/mol
SMILES OC(=O)C1C(N(CCc2ccc(c(c2)OCC)OCC)C2(CC1c1c(O2)cccc1)C)=O
SPLASH splash10-0006-5900000000-da862deb1800f47a8606
Source of Spectrum IY-2-5046-7
Synonyms 2-Oxa-12-azatricyclo[7.3.1.0(3,8)]trideca-3(8),4,6-triene-10-carboxylic acid, 12-[2-(3,4-diethoxyphenyl)ethyl]-1-methyl-11-oxo-
Wiley ID 1658450