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

*Links on SpectraBase are not permalinks.

5-Amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-pyrazolecarbonitrile

View entire compound with spectra: 1 MS (GC)

5-Amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-pyrazolecarbonitrile
SpectraBase Compound ID FQ1TMiwH9Bw
InChI InChI=1S/C11H5F3N6O4/c12-11(13,14)6-1-7(19(21)22)9(8(2-6)20(23)24)18-10(16)5(3-15)4-17-18/h1-2,4H,16H2
InChIKey HQJGOBXYDOEXGP-UHFFFAOYSA-N
Mol Weight 342.19 g/mol
Molecular Formula C11H5F3N6O4
Exact Mass 342.032437 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 ED090dkBuYc
Name 5-Amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-pyrazolecarbonitrile
CAS Registry Number 74990-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H5F3N6O4
InChI InChI=1S/C11H5F3N6O4/c12-11(13,14)6-1-7(19(21)22)9(8(2-6)20(23)24)18-10(16)5(3-15)4-17-18/h1-2,4H,16H2
InChIKey HQJGOBXYDOEXGP-UHFFFAOYSA-N
Molecular Weight 342.194 g/mol
SMILES Nc1[n](-c2c(N(=O)=O)cc(C(F)(F)F)cc2N(=O)=O)ncc1C#N
SPLASH splash10-0006-0029000000-b5c67f9a9bcbbac9203b
Source of Spectrum Y-17-266-0
Synonyms 5-Amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile 5-Azanyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
Wiley ID 1336176