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

*Links on SpectraBase are not permalinks.

2-(2-Hydroxy-5-methylphenyl)benzotriazole, o-heptafluorobutyryl

View entire compound with spectra: 1 NMR

2-(2-Hydroxy-5-methylphenyl)benzotriazole, o-heptafluorobutyryl
SpectraBase Compound ID DnfnwpPPGeu
InChI InChI=1S/C17H10F7N3O2/c1-9-6-7-13(29-14(28)15(18,19)16(20,21)17(22,23)24)12(8-9)27-25-10-4-2-3-5-11(10)26-27/h2-8H,1H3
InChIKey FLGIHXLQKDAVAJ-UHFFFAOYSA-N
Mol Weight 421.27 g/mol
Molecular Formula C17H10F7N3O2
Exact Mass 421.066124 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 3NDybzwRr8u
Name 2-(2-Hydroxy-5-methylphenyl)benzotriazole, o-heptafluorobutyryl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.066123713 u
Formula C17H10F7N3O2
InChI InChI=1S/C17H10F7N3O2/c1-9-6-7-13(29-14(28)15(18,19)16(20,21)17(22,23)24)12(8-9)27-25-10-4-2-3-5-11(10)26-27/h2-8H,1H3
InChIKey FLGIHXLQKDAVAJ-UHFFFAOYSA-N
Molecular Weight 421.275 g/mol
SMILES C12=NN(N=C2C=CC=C1)C1=C(C=CC(=C1)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F