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1-(1H-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1-piperidino-1,3-butadiene
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)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbAKvqMnOf8
Name 1-(1H-BENZOTRIAZOL-1-YL)-3,4,4-TRICHLORO-2-NITRO-1-PIPERIDINO-1,3-
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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 401.0212
SMILES c1cc2[n](\C(N3CCCCC3)=C/(C(=C(Cl)Cl)Cl)N(=O)=O)nnc2cc1
SPLASH splash10-000f-9440000000-ef11ffe9c5112e8c2ad4
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany