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PHOMOLACTONE-B
SpectraBase Compound ID 8xYFyPr3GW5
InChI InChI=1S/C12H14O4/c1-2-3-7-6-8-9(13)4-5-10(14)11(8)12(15)16-7/h4-5,7,13-14H,2-3,6H2,1H3/t7-/m1/s1
InChIKey QCSZJTQLDKTFCT-SSDOTTSWSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98zSU6hD7E0
Name (R)-5,8-Dihydroxy-3-propyl-isochroman-1-one
Alternate Name(s) Phomolactone B (3R)-5,8-dihydroxy-3-propyl-3,4-dihydro-1H-2-benzopyran-1-one (3R)-5,8-dihydroxy-3-propyl-3,4-dihydroisochromen-1-one (3R)-5,8-bis(oxidanyl)-3-propyl-3,4-dihydroisochromen-1-one
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Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-2-3-7-6-8-9(13)4-5-10(14)11(8)12(15)16-7/h4-5,7,13-14H,2-3,6H2,1H3/t7-/m1/s1
InChIKey QCSZJTQLDKTFCT-SSDOTTSWSA-N
Molecular Weight 222.240 g/mol
SMILES Oc1c2C[C@](OC(c2c(cc1)O)=O)(CCC)[H]
SPLASH splash10-00di-0950000000-b4a56aea8e150a4d6c71
Source of Spectrum U1-2009-755-5
Wiley ID 1662522