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Ethyl (4aS*,7R*,8S*,8aR*)-7-phenyl-1-oxo-3,4,4a,7,8,8a-hexahydro-1H-isochromene-8-carboxylate
SpectraBase Compound ID EY3ZMqleu51
InChI InChI=1S/C18H20O4/c1-2-21-18(20)16-14(12-6-4-3-5-7-12)9-8-13-10-11-22-17(19)15(13)16/h3-9,13-16H,2,10-11H2,1H3/t13-,14+,15-,16+/m1/s1
InChIKey SQBZRWBQNKGARY-QXSJWSMHSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqGdfmj4fj8
Name Ethyl (4aS*,7R*,8S*,8aR*)-7-phenyl-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 C18H20O4
InChI InChI=1S/C18H20O4/c1-2-21-18(20)16-14(12-6-4-3-5-7-12)9-8-13-10-11-22-17(19)15(13)16/h3-9,13-16H,2,10-11H2,1H3/t13-,14+,15-,16+/m1/s1
InChIKey SQBZRWBQNKGARY-QXSJWSMHSA-N
Molecular Weight 300.354 g/mol
SMILES [C@]1([C@@](C=C[C@]2([C@]1(C(OCC2)=O)[H])[H])(c1ccccc1)[H])(C(=O)OCC)[H]
SPLASH splash10-0ugj-1960000000-73af7cd16b9857a5583a
Source of Spectrum F-67-190-26d
Wiley ID 1685351