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Ethyl 1-fluoro-9-oxo-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylate
SpectraBase Compound ID Dq3syKyCgSK
InChI InChI=1S/C14H15FO3/c1-2-18-14(17)10-6-4-8-12(16)13-9(10)5-3-7-11(13)15/h3,5,7,10H,2,4,6,8H2,1H3
InChIKey ZCBKNQOVCRLKTR-UHFFFAOYSA-N
Mol Weight 250.27 g/mol
Molecular Formula C14H15FO3
Exact Mass 250.100523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IV63BtqvtdI
Name Ethyl 1-fluoro-9-oxo-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-carboxylate
Appearance Colorless oil
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Formula C14H15FO3
InChI InChI=1S/C14H15FO3/c1-2-18-14(17)10-6-4-8-12(16)13-9(10)5-3-7-11(13)15/h3,5,7,10H,2,4,6,8H2,1H3
InChIKey ZCBKNQOVCRLKTR-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201905570
Molecular Weight 250.269 g/mol
Reported Formula C14H15FO3
SMILES C(C)OC(=O)C1CCCC(c2c1cccc2F)=O
SPLASH splash10-0f92-3930000000-d469b4b3e5b49e3da725
Source of Spectrum QE-26-SM10-2j
Thin-Layer Chromatography Rf = 0.24 (n-pentane/Et2O, 5:1)
Wiley ID 1858613