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3-(hydroxymethyl)-6,7-dihydro-5H-1-benzofuran-4-one
SpectraBase Compound ID CUr8JUiHtt0
InChI InChI=1S/C9H10O3/c10-4-6-5-12-8-3-1-2-7(11)9(6)8/h5,10H,1-4H2
InChIKey KLRQZYPTNIUTNP-UHFFFAOYSA-N
Mol Weight 166.18 g/mol
Molecular Formula C9H10O3
Exact Mass 166.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kwf6StkFbnm
Name 3-(hydroxymethyl)-6,7-dihydro-5H-1-benzofuran-4-one
Alternate Name(s) 3-(hydroxymethyl)-6,7-dihydro-5H-benzofuran-4-one 3-methylol-6,7-dihydro-5H-benzofuran-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C9H10O3
InChI InChI=1S/C9H10O3/c10-4-6-5-12-8-3-1-2-7(11)9(6)8/h5,10H,1-4H2
InChIKey KLRQZYPTNIUTNP-UHFFFAOYSA-N
Molecular Weight 166.176 g/mol
SMILES OCc1c2c(oc1)CCCC2=O
SPLASH splash10-014r-0900000000-f15531f9181930027a3c
Source of Spectrum J-58-3967-10
Wiley ID 1162340