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

*Links on SpectraBase are not permalinks.
META-PENTYLBENZALDEHYDE
SpectraBase Compound ID 5Sy311TJvsV
InChI InChI=1S/C12H16O/c1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-10H,2-4,6H2,1H3
InChIKey MMXWSGFLBUSQPQ-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 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 2Z8yxWXcrH0
Name META-PENTYLBENZALDEHYDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-2-3-4-6-11-7-5-8-12(9-11)10-13/h5,7-10H,2-4,6H2,1H3
InChIKey MMXWSGFLBUSQPQ-UHFFFAOYSA-N
Literature Reference Author Y.KOIDE,T.HASEGAWA,A.TAKAHASHI,A.ENDO,N.MOCHIZUKI,M.NAKAGAWA ,A.NISHIDA
Literature Reference Citation J.MED.CHEM.,45,4629(2002)
Literature Reference DOI 10.1021/jm020080c
Molecular Weight 176.258 g/mol
Sample ID 65095
Solvent CDCl3