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1-(5-Methylhexanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID AcubXwToFYh
InChI InChI=1S/C12H18O3/c1-8(2)4-3-5-10(13)12-6-9(12)7-15-11(12)14/h8-9H,3-7H2,1-2H3
InChIKey VPQYBTVYWNTUDP-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sepcaAJlF4
Name 1-(5-Methylhexanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
Appearance Yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-8(2)4-3-5-10(13)12-6-9(12)7-15-11(12)14/h8-9H,3-7H2,1-2H3
InChIKey VPQYBTVYWNTUDP-UHFFFAOYSA-N
Instrument Name HP 6890-5973 or Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/cbic.201900764
Molecular Weight 210.273 g/mol
SMILES C12(C(OCC1C2)=O)C(CCCC(C)C)=O
SPLASH splash10-0fdo-4900000000-e2b4851d8cd6dffd285f
Source of Spectrum CBC-21-SM16-1i
Wiley ID 1855978