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(3aS,4R)7-Ethoxycarbonyl-4-methyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran

View entire compound with spectra: 1 MS (GC)

(3aS,4R)7-Ethoxycarbonyl-4-methyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran
SpectraBase Compound ID 5vqweQnkkeN
InChI InChI=1S/C14H20O3/c1-4-10-8-12-9(3)6-7-11(13(12)17-10)14(15)16-5-2/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10?,12+/m1/s1
InChIKey PVYHKUMDDOLNDL-MAZPRZIYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ft1iZ6IPuW8
Name (3aS,4R)7-Ethoxycarbonyl-4-methyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-4-10-8-12-9(3)6-7-11(13(12)17-10)14(15)16-5-2/h4,9-10,12H,1,5-8H2,2-3H3/t9-,10?,12+/m1/s1
InChIKey PVYHKUMDDOLNDL-MAZPRZIYSA-N
Molecular Weight 236.311 g/mol
SMILES C12=C(C(=O)OCC)CC[C@]([C@@]2(CC(O1)C=C)[H])(C)[H]
SPLASH splash10-00kr-0930000000-cb7770e3ee799a6e338b
Source of Spectrum QE-8-922-3
Synonyms 7-Ethoxycarbonyl-4-methyl-2-vinyl-2,3,3a,4,5,6-hexahydro-2,3-benzofuran Ethyl (3aS,4R)-4-methyl-2-vinyl-2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylate
Wiley ID 1557288