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Terconazole

View entire compound with spectra: 1 NMR, 2 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8Oo63GJaCD
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-isopropylpiperazine
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Formula C26H31Cl2N5O3
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
Molecular Weight 532.472 g/mol
SMILES [C@@]1(c2c(cc(cc2)Cl)Cl)(C[n]2ncnc2)O[C@@](COc2ccc(N3CCN(CC3)C(C)C)cc2)(CO1)[H]
SPLASH splash10-06dj-9310160000-0fa36bd1d8c5f90a056a
Source of Spectrum CJ-0-53-0
Synonyms 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-isopropyl-piperazine 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-propan-2-yl-piperazine Terconazole
Wiley ID 1403464