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5-Oxatricyclo[5.1.0.0(1,3)]octan-4-one

View entire compound with spectra: 1 MS (GC)

5-Oxatricyclo[5.1.0.0(1,3)]octan-4-one
SpectraBase Compound ID FvWnlRlbk6W
InChI InChI=1S/C7H8O2/c8-6-5-2-7(5)1-4(7)3-9-6/h4-5H,1-3H2/t4-,5-,7?/m1/s1
InChIKey JKRMGCWOJAHSKK-YDQIFQPMSA-N
Mol Weight 124.14 g/mol
Molecular Formula C7H8O2
Exact Mass 124.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpR9b9gK4TJ
Name 5-Oxatricyclo[5.1.0.0(1,3)]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8O2
InChI InChI=1S/C7H8O2/c8-6-5-2-7(5)1-4(7)3-9-6/h4-5H,1-3H2/t4-,5-,7?/m1/s1
InChIKey JKRMGCWOJAHSKK-YDQIFQPMSA-N
Molecular Weight 124.139 g/mol
SMILES C123[C@](C(OC[C@@]3([H])C1)=O)([H])C2
SPLASH splash10-004r-9000000000-c6eff00adb5eee88c222
Source of Spectrum J-63-1398-18
Synonyms (3S,7S)-5-Oxatricyclo[5.1.0.0(1,3)]octan-4-one
Wiley ID 1128815