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(4aS,8R,8aR)-2-Methoxy-4a-hydroxy-8-ethyl-perhydrobenzopyran-4,5-dione
SpectraBase Compound ID 6KPqE6plIcd
InChI InChI=1S/C12H18O5/c1-3-7-4-5-8(13)12(15)9(14)6-10(16-2)17-11(7)12/h7,10-11,15H,3-6H2,1-2H3/t7-,10?,11-,12+/m1/s1
InChIKey PAEPZWVPNXRIFV-BIZVOLECSA-N
Mol Weight 242.27 g/mol
Molecular Formula C12H18O5
Exact Mass 242.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJbIws5jSQH
Name (4aS,8R,8aR)-2-Methoxy-4a-hydroxy-8-ethyl-perhydrobenzopyran-4,5-dione
Alternate Name(s) 2-Methoxy-4a-hydroxy-7-ethyl-perhydrobenzopyran-4,5-dione 7-Ethyl-4a-hydroxy-2-methoxytetrahydro-2H-chromene-4,5(3H,4aH)-dione
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Formula C12H18O5
InChI InChI=1S/C12H18O5/c1-3-7-4-5-8(13)12(15)9(14)6-10(16-2)17-11(7)12/h7,10-11,15H,3-6H2,1-2H3/t7-,10?,11-,12+/m1/s1
InChIKey PAEPZWVPNXRIFV-BIZVOLECSA-N
Molecular Weight 242.271 g/mol
SMILES O[C@@]12[C@](OC(CC2=O)OC)([C@](CC)(CCC1=O)[H])[H]
SPLASH splash10-06z3-9420000000-7b8e0ea6f7f79f632f65
Source of Spectrum U-1996-633-8
Wiley ID 768304