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1-Hydroxymethyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane
SpectraBase Compound ID KTpSqToCowb
InChI InChI=1S/C11H14O5/c1-10-6-4-2-5-7(6)11(3-12,16-10)15-9(5)13-8(4)14-10/h4-9,12H,2-3H2,1H3
InChIKey XUYRXZFCDGWKEJ-UHFFFAOYSA-N
Mol Weight 226.23 g/mol
Molecular Formula C11H14O5
Exact Mass 226.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hi4o3WHEOWB
Name 1-Hydroxymethyl-7-methyl-2,4,6,13-tetraoxapentacyclo[5.5.1.0(3,11).0(5,9).0(8,12)]tridecane
Alternate Name(s) (11-methyl-8,10,12,13-tetraoxapentacyclo[5.5.1.0(2,6).0(3,11).0(4,9)]tridec-1-yl)methanol
Comments Less than 3 mono-isotopic peaks
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Formula C11H14O5
InChI InChI=1S/C11H14O5/c1-10-6-4-2-5-7(6)11(3-12,16-10)15-9(5)13-8(4)14-10/h4-9,12H,2-3H2,1H3
InChIKey XUYRXZFCDGWKEJ-UHFFFAOYSA-N
Molecular Weight 226.228 g/mol
SMILES OCC12C3C4C5CC3C(O1)OC5OC4(O2)C
SPLASH splash10-0002-0900000000-3b5a342209077b109dd9
Source of Spectrum QA-47-266-5
Wiley ID 863360