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(3S,3aR,6R,7aR)-6-Benzyloxymethyl-3-methyl-hexahydro-benzofuran-2-one
SpectraBase Compound ID CCJX3400HDX
InChI InChI=1S/C17H22O3/c1-12-15-8-7-14(9-16(15)20-17(12)18)11-19-10-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3/t12-,14+,15+,16+/m0/s1
InChIKey OLNBDTVXBOCVNE-LCGIIJARSA-N
Mol Weight 274.36 g/mol
Molecular Formula C17H22O3
Exact Mass 274.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F32EyDUzRR
Name (3S,3aR,6R,7aR)-6-Benzyloxymethyl-3-methyl-hexahydro-benzofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O3
InChI InChI=1S/C17H22O3/c1-12-15-8-7-14(9-16(15)20-17(12)18)11-19-10-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3/t12-,14+,15+,16+/m0/s1
InChIKey OLNBDTVXBOCVNE-LCGIIJARSA-N
Molecular Weight 274.360 g/mol
SMILES C1(O[C@@]2(C[C@](COCc3ccccc3)(CC[C@@]2([C@@]1(C)[H])[H])[H])[H])=O
SPLASH splash10-0006-9310000000-ad77b7f07e80c41c0b59
Source of Spectrum F-48-9798-27b
Synonyms 4-(Benzoylmethyl)-9-methyl-7-oxabicyclo[4.3.0]nonan-8-one isomer (3R,3aR,6R,7aR)-3-Methyl-6-(2-oxo-2-phenyl-ethyl)-hexahydro-benzofuran-2-one (3S,3aR,6R,7aR)-3-Methyl-6-(2-oxo-2-phenyl-ethyl)-hexahydro-benzofuran-2-one
Wiley ID 1278447