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phenyl 2-Oxocyclooctanecarboxylate
SpectraBase Compound ID GDPjsBpWXsn
InChI InChI=1S/C15H18O3/c16-14-11-7-2-1-6-10-13(14)15(17)18-12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2
InChIKey MJCYFQAGAPLBBI-UHFFFAOYSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aEWKUwctXR
Name phenyl 2-Oxocyclooctanecarboxylate
Alternate Name(s) 2-ketocyclooctanecarboxylic acid phenyl ester 2-Oxo-1-cyclooctanecarboxylic acid phenyl ester phenyl 2-oxidanylidenecyclooctane-1-carboxylate phenyl 2-oxocyclooctane-1-carboxylate
CAS Registry Number 126256-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c16-14-11-7-2-1-6-10-13(14)15(17)18-12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2
InChIKey MJCYFQAGAPLBBI-UHFFFAOYSA-N
Molecular Weight 246.306 g/mol
SMILES C(C1C(=O)CCCCCC1)(Oc1ccccc1)=O
SPLASH splash10-0zfr-7900000000-1504262d8bac126a1635
Source of Spectrum K-123-1572-3
Wiley ID 1249221