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3,3-Dimethyl-4,4a,5,6,7,8-hexahydro-3H-isochromene-1-carboxylic acid methyl ester
SpectraBase Compound ID 8ZRTf7H0AIX
InChI InChI=1S/C13H20O3/c1-13(2)8-9-6-4-5-7-10(9)11(16-13)12(14)15-3/h9H,4-8H2,1-3H3
InChIKey YLBPMTXDATYQPO-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7WoxwSVHvU
Name 3,3-Dimethyl-4,4a,5,6,7,8-hexahydro-3H-isochromene-1-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-13(2)8-9-6-4-5-7-10(9)11(16-13)12(14)15-3/h9H,4-8H2,1-3H3
InChIKey YLBPMTXDATYQPO-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(=C2C(CCCC2)CC(O1)(C)C)C(=O)OC
SPLASH splash10-0ab9-0950000000-3eb59f649f8699fbdf4f
Source of Spectrum AJ-67-295-15
Synonyms Methyl 3,3-dimethyl-2-oxabicyclo[4.4.0]decene-2-carboxylate methyl 3,3-dimethyl-4,4a,5,6,7,8-hexahydro-3H-2-benzopyran-1-carboxylate
Wiley ID 772457