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ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
SpectraBase Compound ID IZn89u4vxom
InChI InChI=1S/C12H18O4/c1-3-15-12(13)9-6-4-5-8-10(14-2)7-16-11(8)9/h8,10H,3-7H2,1-2H3/t8-,10-/m1/s1
InChIKey PQBPAHIGLQBRIB-PSASIEDQSA-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 5eeaK0UO8nl
Name (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-3-15-12(13)9-6-4-5-8-10(14-2)7-16-11(8)9/h8,10H,3-7H2,1-2H3/t8-,10-/m1/s1
InChIKey PQBPAHIGLQBRIB-PSASIEDQSA-N
Molecular Weight 226.272 g/mol
SMILES C12=C(C(=O)OCC)CCC[C@@]2([C@](OC)(CO1)[H])[H]
SPLASH splash10-003r-0940000000-f51609820cc4c2834bb3
Source of Spectrum H-2005-2084-4
Synonyms Ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Ethyl (3S,3aR)-3-methoxy-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylate
Wiley ID 1562768