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ethyl (3S,3aR,4R)-3-methoxy-4-methyl-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,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
SpectraBase Compound ID L7iwlchAdL0
InChI InChI=1S/C13H20O4/c1-4-16-13(14)9-6-5-8(2)11-10(15-3)7-17-12(9)11/h8,10-11H,4-7H2,1-3H3/t8-,10-,11-/m1/s1
InChIKey HMJHHWPJLZCFLM-FBIMIBRVSA-N
Mol Weight 240.3 g/mol
Molecular Formula C13H20O4
Exact Mass 240.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDDtdAHI0iz
Name (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O4
InChI InChI=1S/C13H20O4/c1-4-16-13(14)9-6-5-8(2)11-10(15-3)7-17-12(9)11/h8,10-11H,4-7H2,1-3H3/t8-,10-,11-/m1/s1
InChIKey HMJHHWPJLZCFLM-FBIMIBRVSA-N
Molecular Weight 240.299 g/mol
SMILES C12=C(C(=O)OCC)CC[C@]([C@@]2([C@](OC)(CO1)[H])[H])(C)[H]
SPLASH splash10-014i-0930000000-af9190fd272e7e785694
Source of Spectrum H-2005-2085-4
Synonyms Ethyl (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate Ethyl (3S,3aR,4R)-3-methoxy-4-methyl-2,3,3a,4,5,6-hexahydrobenzofuran-7-carboxylate
Wiley ID 1562766