| SpectraBase Spectrum ID |
63r3JnR4tiO |
| Name |
Terconazole |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
23959 |
| Lot Number |
0519016-1 |
| CAS Registry Number |
67915-31-5 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H31Cl2N5O3 |
| IUPAC Name |
1-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(1-methylethyl)-rel-piperazine |
| InChI |
InChI=1S/C26H31Cl2N5O3/c1-19(2)31-9-11-32(12-10-31)21-4-6-22(7-5-21)34-14-23-15-35-26(36-23,16-33-18-29-17-30-33)24-8-3-20(27)13-25(24)28/h3-8,13,17-19,23H,9-12,14-16H2,1-2H3/t23-,26-/m0/s1 |
| InChIKey |
BLSQLHNBWJLIBQ-OZXSUGGESA-N |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1200 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
c1cc(c(cc1Cl)Cl)[C@@]1(O[C@](CO1)(COc1ccc(cc1)N1CCN(CC1)C(C)C)[H])C[n]1ncnc1 |
| Scans Performed |
2048 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
NSC 331942; R-42470; (+/-)-Terconazole |
| Technique |
FT-Raman |
