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Ethyl (4aS*,7R*,8S*,8aS*)-7-methyl-1-oxo-3,4,4a,7,8,8a-hexahydro-1H-isochromene-8-carboxylate
SpectraBase Compound ID 6yDJBX9ll4e
InChI InChI=1S/C13H18O4/c1-3-16-12(14)10-8(2)4-5-9-6-7-17-13(15)11(9)10/h4-5,8-11H,3,6-7H2,1-2H3/t8-,9-,10+,11+/m1/s1
InChIKey VSOZQBCRTPEXHA-ZNSHCXBVSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJt6UrpNmJA
Name Ethyl (4aS*,7R*,8S*,8aS*)-7-methyl-1-oxo-3,4,4a,7,8,8a-hexahydro-1H-isochromene-8-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-16-12(14)10-8(2)4-5-9-6-7-17-13(15)11(9)10/h4-5,8-11H,3,6-7H2,1-2H3/t8-,9-,10+,11+/m1/s1
InChIKey VSOZQBCRTPEXHA-ZNSHCXBVSA-N
Molecular Weight 238.283 g/mol
SMILES [C@@]12(C(OCC[C@]1(C=C[C@]([C@@]2(C(=O)OCC)[H])(C)[H])[H])=O)[H]
SPLASH splash10-0006-6900000000-22406690fe7e01eaa9da
Source of Spectrum F-67-189-23c
Wiley ID 1685357