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C2 (18)O labeled 3-benzyl-2-hydroxycyclopent-2-enone
SpectraBase Compound ID Fuy02ChbKO4
InChI InChI=1S/C12H12O2/c13-11-7-6-10(12(11)14)8-9-4-2-1-3-5-9/h1-5,14H,6-8H2/i14+2
InChIKey QDZZKNIAXGCWQL-HKGQFRNVSA-N
Mol Weight 190.23 g/mol
Molecular Formula C12H12O18O
Exact Mass 190.087975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mfQROzSVqB
Name C2 (18)O labeled 3-benzyl-2-hydroxycyclopent-2-enone
Comments Original formula: C12H12O[18O]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c13-11-7-6-10(12(11)14)8-9-4-2-1-3-5-9/h1-5,14H,6-8H2/i14+2
InChIKey QDZZKNIAXGCWQL-HKGQFRNVSA-N
Molecular Weight 190.226 g/mol
SMILES [18OH]C1=C(Cc2ccccc2)CCC1=O
SPLASH splash10-0006-2900000000-49f933563c54cc281923
Source of Spectrum F-67-5946-1b
Wiley ID 1713300