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

*Links on SpectraBase are not permalinks.
1H-Pyrazole, 4-adamantan-1-yl-5-phenyl-3-trifluoromethyl-
SpectraBase Compound ID Cii6aro9Qt1
InChI InChI=1S/C20H21F3N2/c21-20(22,23)18-16(17(24-25-18)15-4-2-1-3-5-15)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2,(H,24,25)/t12-,13+,14-,19-
InChIKey ZLVIPKYPRWKXLY-KRFSREQESA-N
Mol Weight 346.4 g/mol
Molecular Formula C20H21F3N2
Exact Mass 346.165683 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 BmOOdznQX2R
Name 1H-Pyrazole, 4-adamantan-1-yl-5-phenyl-3-trifluoromethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21F3N2
InChI InChI=1S/C20H21F3N2/c21-20(22,23)18-16(17(24-25-18)15-4-2-1-3-5-15)19-9-12-6-13(10-19)8-14(7-12)11-19/h1-5,12-14H,6-11H2,(H,24,25)/t12-,13+,14-,19-
InChIKey ZLVIPKYPRWKXLY-KRFSREQESA-N
Molecular Weight 346.397 g/mol
SMILES [nH]1nc(c(c1-c1ccccc1)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(F)(F)F
SPLASH splash10-0002-1109000000-5c0c35c7788e42d9d806
Source of Spectrum O1-46-1178-2a
Synonyms 4-(1-Adamantyl)-5-phenyl-3-trifluoromethyl-1H-pyrazole 4-(1-adamantyl)-3-phenyl-5-(trifluoromethyl)-1H-pyrazole
Wiley ID 1669392