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phenyl 2-Oxocycloheptanecarboxylate
SpectraBase Compound ID GzwvZHHMxh0
InChI InChI=1S/C14H16O3/c15-13-10-6-2-5-9-12(13)14(16)17-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey NARFVIBSZRVGEC-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItdYdyrImIN
Name phenyl 2-Oxocycloheptanecarboxylate
Alternate Name(s) 2-ketocycloheptanecarboxylic acid phenyl ester 2-Oxo-1-cycloheptanecarboxylic acid phenyl ester phenyl 2-oxidanylidenecycloheptane-1-carboxylate phenyl 2-oxocycloheptane-1-carboxylate
CAS Registry Number 126256-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c15-13-10-6-2-5-9-12(13)14(16)17-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey NARFVIBSZRVGEC-UHFFFAOYSA-N
Molecular Weight 232.279 g/mol
SMILES C(C1C(=O)CCCCC1)(Oc1ccccc1)=O
SPLASH splash10-000f-9500000000-d7420bed52ed85d30330
Source of Spectrum K-123-1572-3
Wiley ID 1233972