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

*Links on SpectraBase are not permalinks.
Terconazole
SpectraBase Compound ID 5HiOuw9E8wl
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
Mol Weight 532.47 g/mol
Molecular Formula C26H31Cl2N5O3
Exact Mass 531.180395 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6BGokVVdNL1
Name Terconazole
Source of Sample Cayman Chemical Company
Catalog Number 23959
Lot Number 0519016-1
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 67915-31-5
Copyright Copyright © 2019-2024 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
Instrument Name Bio-Rad FTS
SMILES c1cc(c(cc1Cl)Cl)[C@@]1(O[C@](CO1)(COc1ccc(cc1)N1CCN(CC1)C(C)C)[H])C[n]1ncnc1
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms NSC 331942; R-42470; (+/-)-Terconazole
Technique ATR-Neat