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(1S,8R,8aR) 8-benzyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
SpectraBase Compound ID JbDYHUDVXRW
InChI InChI=1S/C18H18O4/c1-12(19)22-18-17-14(10-13-6-3-2-4-7-13)8-5-9-15(17)16(20)11-21-18/h2-9,14,17-18H,10-11H2,1H3/t14-,17+,18-/m0/s1
InChIKey XZLMJIFBUQGRJE-QGTPRVQTSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBOQpdXrxPz
Name (1S,8R,8aR) 8-benzyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Alternate Name(s) (1S,8R,8aR)-8-benzyl-4-oxo-3,4,8,8a-tetrahydro-1H-isochromen-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-12(19)22-18-17-14(10-13-6-3-2-4-7-13)8-5-9-15(17)16(20)11-21-18/h2-9,14,17-18H,10-11H2,1H3/t14-,17+,18-/m0/s1
InChIKey XZLMJIFBUQGRJE-QGTPRVQTSA-N
Literature Reference DOI 10.1021/ol301602h
Molecular Weight 298.338 g/mol
SMILES C1=C[C@]([C@@]2([H])[C@](OC(=O)C)(OCC(=O)C2=C1)[H])(Cc1ccccc1)[H]
SPLASH splash10-0002-1900000000-cff328ab8c5efaf3ebd5
Source of Spectrum A1-14-3740/SMS6-4h
Wiley ID 1750436