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7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
SpectraBase Compound ID 5YVKrOypjIL
InChI InChI=1S/C13H16O4/c1-3-7-11(17-2)6-8-9(14)4-5-10(15)12(8)13(7)16/h6,9,14,16H,3-5H2,1-2H3
InChIKey NNATXEPYMGAPGR-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9D56KHTPW5z
Name 7-ethyl-4,8-dihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Alternate Name(s) 7-ethyl-4,8-dihydroxy-6-methoxy-tetralin-1-one 7-ethyl-6-methoxy-4,8-bis(oxidanyl)-3,4-dihydro-2H-naphthalen-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-3-7-11(17-2)6-8-9(14)4-5-10(15)12(8)13(7)16/h6,9,14,16H,3-5H2,1-2H3
InChIKey NNATXEPYMGAPGR-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES Oc1c2c(C(CCC2=O)O)cc(c1CC)OC
SPLASH splash10-00di-0090000000-502953079b699f0f45b0
Source of Spectrum F-47-4297-35
Wiley ID 1238115