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(3aS,7aS)-3-Acetyl-2-phenyl-4,5,7,7a-tetrahydrobenzofuran-6(3aH)-one
SpectraBase Compound ID 5CkHMMcVENk
InChI InChI=1S/C16H16O3/c1-10(17)15-13-8-7-12(18)9-14(13)19-16(15)11-5-3-2-4-6-11/h2-6,13-14H,7-9H2,1H3/t13-,14+/m1/s1
InChIKey AYEWNQSJYMKUAN-KGLIPLIRSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoSQRFoSVB6
Name (3aS,7aS)-3-Acetyl-2-phenyl-4,5,7,7a-tetrahydrobenzofuran-6(3aH)-one
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.109944372 u
Formula C16H16O3
GC Column HP-5MS (15 m x 0.25 mm)
InChI InChI=1S/C16H16O3/c1-10(17)15-13-8-7-12(18)9-14(13)19-16(15)11-5-3-2-4-6-11/h2-6,13-14H,7-9H2,1H3/t13-,14+/m1/s1
InChIKey AYEWNQSJYMKUAN-KGLIPLIRSA-N
Instrument Name Hewlett Packard Model 6890 GC-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201505027
Molecular Weight 256.301 g/mol
Quality 165
SMILES [C@@]12([C@](OC(=C2C(=O)C)C2=CC=CC=C2)([H])CC(CC1)=O)[H]
SPLASH splash10-0a4i-3910000000-9616a653af4b830dbf1f
Source of Spectrum QE-22-SM16-3u (DOI: 10.1002/chem.201505027)
Thin-Layer Chromatography 0.30 (hexane/EtOAc, 2:1)
Wiley ID 1903665