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

*Links on SpectraBase are not permalinks.
(4-{3-Methyl-4-[(4-methylphenyl)diazenyl]-5-(1,1,2,2,3,3,4,4-octafluorobutyl)-1H-pyrazol-1-yl}butyl)-acetate
SpectraBase Compound ID C9wuBgUwaD9
InChI InChI=1S/C21H22F8N4O2/c1-12-6-8-15(9-7-12)30-31-16-13(2)32-33(10-4-5-11-35-14(3)34)17(16)19(24,25)21(28,29)20(26,27)18(22)23/h6-9,18H,4-5,10-11H2,1-3H3/b31-30+
InChIKey ZCWAUBIQJJOGFV-NVQSTNCTSA-N
Mol Weight 514.42 g/mol
Molecular Formula C21H22F8N4O2
Exact Mass 514.161501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID DnfI0DDSPoR
Name (4-{3-Methyl-4-[(4-methylphenyl)diazenyl]-5-(1,1,2,2,3,3,4,4-octafluorobutyl)-1H-pyrazol-1-yl}butyl)-acetate
Alternate Name(s) (E)-4-(3-methyl-5-(1,1,2,2,3,3,4,4-octafluorobutyl)-4-(p-tolyldiazenyl)-1H-pyrazol-1-yl)butyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22F8N4O2
InChI InChI=1S/C21H22F8N4O2/c1-12-6-8-15(9-7-12)30-31-16-13(2)32-33(10-4-5-11-35-14(3)34)17(16)19(24,25)21(28,29)20(26,27)18(22)23/h6-9,18H,4-5,10-11H2,1-3H3/b31-30+
InChIKey ZCWAUBIQJJOGFV-NVQSTNCTSA-N
Molecular Weight 514.420 g/mol
SMILES C(c1c(c(C)n[n]1CCCCOC(=O)C)\N=N\c1ccc(cc1)C)(C(C(C(F)F)(F)F)(F)F)(F)F
SPLASH splash10-0006-9001230000-74f6d15fe9f04b67087e
Source of Spectrum HC-49-1132-2b
Wiley ID 1739515