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4-[6'-Fluoro-6',7',8',9'-tetrahydro-5'-oxo-5H-benzocycloheptenyl]-benzonitrile
SpectraBase Compound ID xEpMvanPwT
InChI InChI=1S/C18H14FNO/c19-18(15-9-7-13(12-20)8-10-15)11-3-5-14-4-1-2-6-16(14)17(18)21/h1-2,4,6-10H,3,5,11H2
InChIKey JVCRCTVEZISCHD-UHFFFAOYSA-N
Mol Weight 279.31 g/mol
Molecular Formula C18H14FNO
Exact Mass 279.105942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwaqzIOhda0
Name 4-[6'-Fluoro-6',7',8',9'-tetrahydro-5'-oxo-5H-benzocycloheptenyl]-benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14FNO
InChI InChI=1S/C18H14FNO/c19-18(15-9-7-13(12-20)8-10-15)11-3-5-14-4-1-2-6-16(14)17(18)21/h1-2,4,6-10H,3,5,11H2
InChIKey JVCRCTVEZISCHD-UHFFFAOYSA-N
Molecular Weight 279.314 g/mol
SMILES C1(C(c2ccc(C#N)cc2)(F)CCCc2c1cccc2)=O
SPLASH splash10-0h03-3910000000-82e15ee5bf2ed1069c79
Source of Spectrum F5-7-1721-3i
Wiley ID 1714153