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5-oxo-6,7,8,9-Tetrahydro-5H-benzocyclopentene-2-carbonitrile

View entire compound with spectra: 2 FTIR, and 1 Raman

5-oxo-6,7,8,9-Tetrahydro-5H-benzocyclopentene-2-carbonitrile
SpectraBase Compound ID I2gBuvvHV82
InChI InChI=1S/C12H11NO/c13-8-9-5-6-11-10(7-9)3-1-2-4-12(11)14/h5-7H,1-4H2
InChIKey OMRHWWVFIQTIHF-UHFFFAOYSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID CosN8pUm7Q0
Name 5-OXO-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOPENTENE-2-CARBONITRILE
Source of Sample N. Allinger, Wayne State University, Detroit, Michigan
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO
InChI InChI=1S/C12H11NO/c13-8-9-5-6-11-10(7-9)3-1-2-4-12(11)14/h5-7H,1-4H2
InChIKey OMRHWWVFIQTIHF-UHFFFAOYSA-N
Melting Point 61-62C
Molecular Weight 185.225998
Synonyms 5H-BENZOCYCLOHEPTENE-2-CARBONITRILE, 5-OXO-6,7,8,9-TETRAHYDRO-, 2-BENZOSUBERANCARBONITRILE, 5-OXO-,
Technique CAPILLARY CELL: MELT