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KWHUHTFXMNQHAA-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR, 5 FTIR, 1 Raman, 3 MS (GC), and 2 Near IR

KWHUHTFXMNQHAA-UHFFFAOYSA-N
SpectraBase Compound ID EiWp4RXPWje
InChI InChI=1S/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2
InChIKey KWHUHTFXMNQHAA-UHFFFAOYSA-N
Mol Weight 160.22 g/mol
Molecular Formula C11H12O
Exact Mass 160.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7eBe17C5un2
Name 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5-ONE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Boiling Point 270C
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O
InChI InChI=1S/C11H12O/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2
InChIKey KWHUHTFXMNQHAA-UHFFFAOYSA-N
Molecular Weight 160.22
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 5H-BENZOCYCLOHEPTEN-5-ONE, 6,7,8,9-TETRAHYDRO-,