| SpectraBase Spectrum ID |
KocFn6rcUyV |
| Name |
(Z)-1,1,1-Trichloro-4-(dimethylamino)-3-[1-(4-phenylphenyl)-5-tetrazolyl]-3-buten-2-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.042043254 u |
| Formula |
C19H16Cl3N5O |
| InChI |
InChI=1S/C19H16Cl3N5O/c1-26(2)12-16(17(28)19(20,21)22)18-23-24-25-27(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3/b16-12+ |
| InChIKey |
LAPZZYRSWUQZBW-FOWTUZBSSA-N |
| Molecular Weight |
436.730 g/mol |
| SMILES |
C=1(\C(C(C(Cl)(Cl)Cl)=O)=C\N(C)C)N(N=NN1)C1=CC=C(C=C1)C1=CC=CC=C1 |
![(Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-phenylphenyl)-5-tetrazolyl]-3-buten-2-one](/api/spectrum/KocFn6rcUyV/structure.png?h=300&w=458 "(Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-phenylphenyl)-5-tetrazolyl]-3-buten-2-one")
