| SpectraBase Spectrum ID |
BiS7Xz1qDp3 |
| Name |
Benzonitrile, 4-[4-hydroxy-4-[5-methyl-2-(1-methylethyl)-1,3-dioxan-5-yl]-3-(1H-1,2,4-triazol-1-yl)butoxy]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.211055394 u |
| Formula |
C21H28N4O4 |
| InChI |
InChI=1S/C21H28N4O4/c1-15(2)20-28-11-21(3,12-29-20)19(26)18(25-14-23-13-24-25)8-9-27-17-6-4-16(10-22)5-7-17/h4-7,13-15,18-20,26H,8-9,11-12H2,1-3H3 |
| InChIKey |
ARZLCOUEBGXWFO-UHFFFAOYSA-N |
| Molecular Weight |
400.479 g/mol |
| SMILES |
OC(C(CCOC1=CC=C(C=C1)C#N)N1N=CN=C1)C1(COC(OC1)C(C)C)C |
![Benzonitrile, 4-[4-hydroxy-4-[5-methyl-2-(1-methylethyl)-1,3-dioxan-5-yl]-3-(1H-1,2,4-triazol-1-yl)butoxy]-](/api/spectrum/BiS7Xz1qDp3/structure.png?h=300&w=458 "Benzonitrile, 4-[4-hydroxy-4-[5-methyl-2-(1-methylethyl)-1,3-dioxan-5-yl]-3-(1H-1,2,4-triazol-1-yl)butoxy]-")
