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N-(2-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(4-chloro-2-methylphenoxy)acetamide
SpectraBase Compound ID 6p3CvqA3zvc
InChI InChI=1S/C18H25ClN6O3/c1-4-20-16-23-17(21-5-2)25-18(24-16)27-9-8-22-15(26)11-28-14-7-6-13(19)10-12(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,22,26)(H2,20,21,23,24,25)
InChIKey VCRXTNSWHHWUHR-UHFFFAOYSA-N
Mol Weight 408.89 g/mol
Molecular Formula C18H25ClN6O3
Exact Mass 408.167666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C2OXCBTiyNs
Name N-(2-{[4,6-bis(Ethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-2-(4-chloro-2-methylphenoxy)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.167666386 u
Formula C18H25ClN6O3
InChI InChI=1S/C18H25ClN6O3/c1-4-20-16-23-17(21-5-2)25-18(24-16)27-9-8-22-15(26)11-28-14-7-6-13(19)10-12(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,22,26)(H2,20,21,23,24,25)
InChIKey VCRXTNSWHHWUHR-UHFFFAOYSA-N
Molecular Weight 408.890 g/mol
SMILES N(C1=NC(=NC(=N1)NCC)OCCNC(=O)COC1=C(C=C(C=C1)Cl)C)CC