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Methyl (3R,3aS)-3-Methoxy-6-methyl-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate

View entire compound with spectra: 2 MS (GC)

Methyl (3R,3aS)-3-Methoxy-6-methyl-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate
SpectraBase Compound ID 2MOOsBxCayl
InChI InChI=1S/C12H18O4/c1-7-4-5-8-9(14-2)6-16-11(8)10(7)12(13)15-3/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m0/s1
InChIKey XGMZFEHERKOQAU-NPPUSCPJSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9qGQ4wrmMw
Name Methyl (3R,3aS)-3-Methoxy-6-methyl-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-7-4-5-8-9(14-2)6-16-11(8)10(7)12(13)15-3/h7-9H,4-6H2,1-3H3/t7?,8-,9-/m0/s1
InChIKey XGMZFEHERKOQAU-NPPUSCPJSA-N
Molecular Weight 226.272 g/mol
SMILES C12=C(C(=O)OC)C(C)CC[C@]2([C@@](OC)(CO1)[H])[H]
SPLASH splash10-0gb9-0910000000-f90f7171f0a4756d9db6
Source of Spectrum F-70-10021-17
Synonyms Methyl (3R,3aS)-3-methoxy-6-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Methyl 3-Methoxy-6-methyl-2,3,3a,4,5,6-Hexahydrobenzofuran-7-carboxylate isomer
Wiley ID 1597904