| SpectraBase Compound ID | 5YzB5fRkefH |
|---|---|
| InChI | InChI=1S/C15H14Cl3N5O2/c16-12(14(17)18)13(23(24)25)15(21-8-4-1-5-9-21)22-11-7-3-2-6-10(11)19-20-22/h2-3,6-7H,1,4-5,8-9H2/b15-13+ |
| InChIKey | VBDMKQQPIZZLGR-FYWRMAATSA-N |
| Mol Weight | 402.67 g/mol |
| Molecular Formula | C15H14Cl3N5O2 |
| Exact Mass | 401.021308 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HY5HeokyK1T |
|---|---|
| Name | 1-(1H-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1-piperidino-1,3-butadiene |
| Alternate Name(s) | 1-[(1E)-3,4,4-Trichloro-2-nitro-1-(1-piperidinyl)-1,3-butadienyl]-1H-1,2,3-benzotriazole 1-[(1E)-3,4,4-trichloro-2-nitro-1-(1-piperidinyl)buta-1,3-dienyl]benzotriazole 1-[(1E)-3,4,4-trichloro-2-nitro-1-(1-piperidyl)buta-1,3-dienyl]benzotriazole 1-[(1E)-3,4,4-trichloro-2-nitro-1-piperidin-1-ylbuta-1,3-dienyl]benzotriazole 1-[(1E)-3,4,4-trichloro-2-nitro-1-piperidino-buta-1,3-dienyl]benzotriazole 1-[(1E)-3,4,4-tris(chloranyl)-2-nitro-1-piperidin-1-yl-buta-1,3-dienyl]benzotriazole |
| CAS Registry Number | 187652-55-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H14Cl3N5O2 |
| InChI | InChI=1S/C15H14Cl3N5O2/c16-12(14(17)18)13(23(24)25)15(21-8-4-1-5-9-21)22-11-7-3-2-6-10(11)19-20-22/h2-3,6-7H,1,4-5,8-9H2/b15-13+ |
| InChIKey | VBDMKQQPIZZLGR-FYWRMAATSA-N |
| Molecular Weight | 402.669 g/mol |
| SMILES | c1ccc2c(c1)[n](nn2)\C(=C/(N(=O)=O)C(Cl)=C(Cl)Cl)N1CCCCC1 |
| SPLASH | splash10-000f-9440000000-ea226804e6712cc6a900 |
| Wiley ID | 1467486 |