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2-Heptynoic acid, 7-(3,9-dihydro-3-oxopyrano[3,4-b]indol-1-yl)-, methyl ester
SpectraBase Compound ID 8ALHwVLpbkH
InChI InChI=1S/C19H17NO4/c1-23-17(21)11-5-3-2-4-10-16-19-14(12-18(22)24-16)13-8-6-7-9-15(13)20-19/h6-9,12,20H,2-4,10H2,1H3
InChIKey WBPVGRKGRJIYME-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iEPnkHO7dD
Name 2-Heptynoic acid, 7-(3,9-dihydro-3-oxopyrano[3,4-b]indol-1-yl)-, methyl ester
CAS Registry Number 116705-63-6
Comments Less than 3 mono-isotopic peaks
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Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c1-23-17(21)11-5-3-2-4-10-16-19-14(12-18(22)24-16)13-8-6-7-9-15(13)20-19/h6-9,12,20H,2-4,10H2,1H3
InChIKey WBPVGRKGRJIYME-UHFFFAOYSA-N
Molecular Weight 323.348 g/mol
SMILES N1c2ccccc2C=2C1=C(OC(C2)=O)CCCCC#CC(=O)OC
SPLASH splash10-004i-0090000000-1fa19fc99f2f04a008f2
Source of Spectrum KC-1988-3252-5
Synonyms Pyrano[3,4-b]indole, 2-heptynoic acid deriv. 1-(6-Methoxycarbonylhex-5-ynyl)pyrano[3,-b]indol-3-one methyl 7-(3-oxo-3,9-dihydropyrano[3,4-b]indol-1-yl)-2-heptynoate
Wiley ID 1322503