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3,4-Dihydro-9-hydroxy-5,10-dioxo-1-propyl-1H-naphtho[2,3-c]pyran-3-acetic acid
SpectraBase Compound ID ARVra82qFI5
InChI InChI=1S/C18H18O6/c1-2-4-13-16-11(7-9(24-13)8-14(20)21)17(22)10-5-3-6-12(19)15(10)18(16)23/h3,5-6,9,13,19H,2,4,7-8H2,1H3,(H,20,21)
InChIKey XWXZEYLPRXYHQC-UHFFFAOYSA-N
Mol Weight 330.34 g/mol
Molecular Formula C18H18O6
Exact Mass 330.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqSM9bQtEqJ
Name 3,4-Dihydro-9-hydroxy-5,10-dioxo-1-propyl-1H-naphtho[2,3-c]pyran-3-acetic acid
Alternate Name(s) (9-hydroxy-5,10-dioxo-1-propyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl)acetic acid 2-(9-hydroxy-5,10-diketo-1-propyl-3,4-dihydro-1H-benz[g]isochromen-3-yl)acetic acid 2-(9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl)acetic acid 2-(9-hydroxy-5,10-dioxo-1-propyl-3,4-dihydro-1H-benzo[g][2]benzopyran-3-yl)acetic acid 2-[9-oxidanyl-5,10-bis(oxidanylidene)-1-propyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]ethanoic acid
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Formula C18H18O6
InChI InChI=1S/C18H18O6/c1-2-4-13-16-11(7-9(24-13)8-14(20)21)17(22)10-5-3-6-12(19)15(10)18(16)23/h3,5-6,9,13,19H,2,4,7-8H2,1H3,(H,20,21)
InChIKey XWXZEYLPRXYHQC-UHFFFAOYSA-N
Molecular Weight 330.336 g/mol
SMILES Oc1c2c(C(C3=C(C(OC(CC(=O)O)C3)CCC)C2=O)=O)ccc1
SPLASH splash10-002r-1090000000-56b74ce872c229e22a75
Source of Spectrum H-80-55-13
Wiley ID 1327807