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2-Formyl-1-(hydroxtymethyl)-8-oxabicyclo[4.3.0]nonan-7-ol
SpectraBase Compound ID 2dnzt587Rag
InChI InChI=1S/C10H16O4/c11-3-6-1-2-7-9(8(6)4-12)5-14-10(7)13/h3,6-10,12-13H,1-2,4-5H2
InChIKey ZDAANPDMMFZARR-UHFFFAOYSA-N
Mol Weight 200.23 g/mol
Molecular Formula C10H16O4
Exact Mass 200.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DscMmGsjZB3
Name 2-Formyl-1-(hydroxtymethyl)-8-oxabicyclo[4.3.0]nonan-7-ol
Alternate Name(s) 1-hydroxy-3a-(hydroxymethyl)octahydro-2-benzofuran-4-carbaldehyde 1-Hydroxy-4-hydroxymethyl-octahydro-isobenzofuran-5-carbaldehyde
Comments Less than 3 mono-isotopic peaks
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Formula C10H16O4
InChI InChI=1S/C10H16O4/c11-3-6-1-2-7-9(8(6)4-12)5-14-10(7)13/h3,6-10,12-13H,1-2,4-5H2
InChIKey ZDAANPDMMFZARR-UHFFFAOYSA-N
Molecular Weight 200.234 g/mol
SMILES OC1C2C(C(CO)C(CC2)C=O)CO1
SPLASH splash10-0002-9020000000-31e00f53b1c6c0b0d887
Source of Spectrum J-63-7691-16
Wiley ID 1197510