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1-(3-Methyl-1-butanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID 2EUaxNSmaob
InChI InChI=1S/C10H14O3/c1-6(2)3-8(11)10-4-7(10)5-13-9(10)12/h6-7H,3-5H2,1-2H3
InChIKey LCHBYUMMFJLPNF-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KPN0RC0fusg
Name 1-(3-Methyl-1-butanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 182.094294308 u
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-6(2)3-8(11)10-4-7(10)5-13-9(10)12/h6-7H,3-5H2,1-2H3
InChIKey LCHBYUMMFJLPNF-UHFFFAOYSA-N
Instrument Name HP5973-6890 or Agilent 5977A-7890B
Ionization Type EI
Literature Reference DOI 10.1002/anie.201807923
Molecular Weight 182.219 g/mol
Quality 1000
SMILES C1OC(C2(C1C2)C(CC(C)C)=O)=O
SPLASH splash10-00tf-6900000000-4bbc4b0e29a135e2c7ed
Source of Spectrum ACI-57-SM5-18 (DOI: 10.1002/anie.201807923)
Wiley ID 1893571