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Methyl 2-Methyl-5-phenyl-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate isomer

View entire compound with spectra: 1 MS (GC)

Methyl 2-Methyl-5-phenyl-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate isomer
SpectraBase Compound ID HgV8mYXq8Wd
InChI InChI=1S/C17H20O3/c1-11-8-14-9-13(12-6-4-3-5-7-12)10-15(16(14)20-11)17(18)19-2/h3-7,11,13-14H,8-10H2,1-2H3
InChIKey LJAOGACDCRDOQU-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOYAD8xVVJN
Name Methyl 2-Methyl-5-phenyl-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate isomer
Alternate Name(s) Methyl 2-methyl-5-phenyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
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Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-11-8-14-9-13(12-6-4-3-5-7-12)10-15(16(14)20-11)17(18)19-2/h3-7,11,13-14H,8-10H2,1-2H3
InChIKey LJAOGACDCRDOQU-UHFFFAOYSA-N
Molecular Weight 272.344 g/mol
SMILES C1(=C2C(CC(O2)C)CC(C1)c1ccccc1)C(=O)OC
SPLASH splash10-0uxr-2910000000-a5606bbaf5abfffa920d
Source of Spectrum F-70-10022-21
Wiley ID 1597896