| SpectraBase Spectrum ID |
8t86dHZKRBm |
| Name |
[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol, tms (isomer 1) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.072923480 u |
| Formula |
C16H21Cl2N3O3Si |
| InChI |
InChI=1S/C16H21Cl2N3O3Si/c1-25(2,3)23-8-13-7-22-16(24-13,9-21-11-19-10-20-21)14-5-4-12(17)6-15(14)18/h4-6,10-11,13H,7-9H2,1-3H3 |
| InChIKey |
RMSJVZHYVVMZMP-UHFFFAOYSA-N |
| Molecular Weight |
402.353 g/mol |
| SMILES |
C(O[Si](C)(C)C)C1OC(OC1)(CN1N=CN=C1)C1=C(C=C(C=C1)Cl)Cl |
![[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol, tms (isomer 1)](/api/spectrum/8t86dHZKRBm/structure.png?h=300&w=458 "[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol, tms (isomer 1)")
