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

*Links on SpectraBase are not permalinks.

alpha-(Diallylamino)-2,5-cresotic acid

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

alpha-(Diallylamino)-2,5-cresotic acid
SpectraBase Compound ID 5pFwBNIkLgH
InChI InChI=1S/C14H17NO3/c1-3-7-15(8-4-2)10-11-5-6-13(16)12(9-11)14(17)18/h3-6,9,16H,1-2,7-8,10H2,(H,17,18)
InChIKey BYYXYURFYCBNEY-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7J3q2CzFvhC
Name alpha-(Diallylamino)-2,5-cresotic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.120843408 u
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-3-7-15(8-4-2)10-11-5-6-13(16)12(9-11)14(17)18/h3-6,9,16H,1-2,7-8,10H2,(H,17,18)
InChIKey BYYXYURFYCBNEY-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES OC(C1=CC(CN(CC=C)CC=C)=CC=C1O)=O
Spectrum/Structure Validation Score (Raman) 0.979215