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Di[18O]-cyclopent-2-en-1-ol benzoate
SpectraBase Compound ID 6XreOCp10v3
InChI InChI=1S/C12H12O2/c13-12(10-6-2-1-3-7-10)14-11-8-4-5-9-11/h1-4,6-8,11H,5,9H2/i13+2,14+2
InChIKey BTLKCQKGDWHFJF-YWUMWMORSA-N
Mol Weight 192.23 g/mol
Molecular Formula C12H1218O2
Exact Mass 192.09222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9V9zRsDfF7i
Name Di[18O]-cyclopent-2-en-1-ol benzoate
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 843841 moved to the Legacy library; Original formula: C12H12[18O]2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c13-12(10-6-2-1-3-7-10)14-11-8-4-5-9-11/h1-4,6-8,11H,5,9H2/i13+2,14+2
InChIKey BTLKCQKGDWHFJF-YWUMWMORSA-N
Molecular Weight 192.226 g/mol
SMILES C([18O]C1C=CCC1)(=[18O])c1ccccc1
SPLASH splash10-0a6r-4900000000-ce18793b392fe4a0dbbb
Source of Spectrum QE-4-2547-5b
Wiley ID 1821093