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2-[[5-[1-Pyrrolidinyl]pentyl]amino]-4,6-bis[trichloromethyl]-S-triazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-[[5-[1-Pyrrolidinyl]pentyl]amino]-4,6-bis[trichloromethyl]-S-triazine
SpectraBase Compound ID LMSli0HMgyz
InChI InChI=1S/C14H19Cl6N5/c15-13(16,17)10-22-11(14(18,19)20)24-12(23-10)21-6-2-1-3-7-25-8-4-5-9-25/h1-9H2,(H,21,22,23,24)
InChIKey SQCKZRBCEMPGJR-UHFFFAOYSA-N
Mol Weight 470.1 g/mol
Molecular Formula C14H19Cl6N5
Exact Mass 466.977162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ybg1voXCS0
Name 2-[[5-[1-Pyrrolidinyl]pentyl]amino]-4,6-bis[trichloromethyl]-S-triazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.977161832 u
Formula C14H19Cl6N5
InChI InChI=1S/C14H19Cl6N5/c15-13(16,17)10-22-11(14(18,19)20)24-12(23-10)21-6-2-1-3-7-25-8-4-5-9-25/h1-9H2,(H,21,22,23,24)
InChIKey SQCKZRBCEMPGJR-UHFFFAOYSA-N
Molecular Weight 470.059 g/mol
SMILES C1(C(Cl)(Cl)Cl)=NC(NCCCCCN2CCCC2)=NC(=N1)C(Cl)(Cl)Cl