For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-butoxyphthalonitrile

View entire compound with spectra: 3 NMR, and 1 FTIR

4-butoxyphthalonitrile
SpectraBase Compound ID JkO1W5tbmEn
InChI InChI=1S/C12H12N2O/c1-2-3-6-15-12-5-4-10(8-13)11(7-12)9-14/h4-5,7H,2-3,6H2,1H3
InChIKey AVGCGXBXMPWLOW-UHFFFAOYSA-N
Mol Weight 200.24 g/mol
Molecular Formula C12H12N2O
Exact Mass 200.094963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KCrftoo5btQ
Name 4-BUTOXYPHTHALONITRILE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 81560-32-9
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O
InChI InChI=1S/C12H12N2O/c1-2-3-6-15-12-5-4-10(8-13)11(7-12)9-14/h4-5,7H,2-3,6H2,1H3
InChIKey AVGCGXBXMPWLOW-UHFFFAOYSA-N
Melting Point 46C
Molecular Weight 200.24
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms PHTHALONITRILE, 4-BUTOXY-,