SpectraBase Spectrum ID |
L3Lhi1S7XvQ |
Name |
(E)-1-Dodecyl-3-(2-dodecyloxyphenyl)-4-(4-trifluoromethylstyryl)-1H-pyrazole |
Appearance |
Oil |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C42H61F3N2O |
InChI |
InChI=1S/C42H61F3N2O/c1-3-5-7-9-11-13-15-17-19-23-33-47-35-37(30-27-36-28-31-38(32-29-36)42(43,44)45)41(46-47)39-25-21-22-26-40(39)48-34-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-32,35H,3-20,23-24,33-34H2,1-2H3/b30-27+ |
InChIKey |
BAHVMVYNJVWOIV-KDJFERLWSA-N |
Instrument Name |
VG Autospec Q |
Ionization Type |
EI |
Literature Reference DOI |
10.3998/ark.5550190.0011.a19 |
Molecular Weight |
666.958 g/mol |
Reported Formula |
C42H62N2O(19)F3 |
SMILES |
C(CCCCCCCCCCC)[n]1nc(c(c1)\C=C\c1ccc(cc1)C(F)(F)F)-c1c(cccc1)OCCCCCCCCCCCC |
SPLASH |
splash10-014i-0404329000-527d1f4eb8539a5c5996 |
Source of Spectrum |
ARK-2010-244-8f |
Wiley ID |
1866745 |