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1-[(1S,6S)-6-phenyl-7-oxabicyclo[4.1.0]heptan-5-yl]ethanone
SpectraBase Compound ID GVSoP1iInEN
InChI InChI=1S/C14H16O2/c1-10(15)12-8-5-9-13-14(12,16-13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3/t12?,13-,14+/m0/s1
InChIKey QTNXQGKSILODDK-KFTPUPIBSA-N
Mol Weight 216.28 g/mol
Molecular Formula C14H16O2
Exact Mass 216.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXSD52ACyez
Name 1-[(1S,6S)-6-phenyl-7-oxabicyclo[4.1.0]heptan-5-yl]ethanone
Appearance Viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O2
InChI InChI=1S/C14H16O2/c1-10(15)12-8-5-9-13-14(12,16-13)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-9H2,1H3/t12?,13-,14+/m0/s1
InChIKey QTNXQGKSILODDK-KFTPUPIBSA-N
Instrument Name Hewlett-Packard 5971
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01375
Molecular Weight 216.280 g/mol
SMILES [C@@]12([C@@](C(CCC2)C(=O)C)(O1)c1ccccc1)[H]
SPLASH splash10-0560-2900000000-11370ced4e3ec1cae764
Sample Comments dr = 1:1
Source of Spectrum A1-23-SM20-8a
Wiley ID 1868005