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1H-1,2,4-Triazole-1-carboxamide, N-(4-chlorobutyl)-N-[4-(2-methoxyphenoxy)butyl]-
SpectraBase Compound ID JBGGIwvUIan
InChI InChI=1S/C18H25ClN4O3/c1-25-16-8-2-3-9-17(16)26-13-7-6-12-22(11-5-4-10-19)18(24)23-15-20-14-21-23/h2-3,8-9,14-15H,4-7,10-13H2,1H3
InChIKey DXUQNEDJWSVLFL-UHFFFAOYSA-N
Mol Weight 380.88 g/mol
Molecular Formula C18H25ClN4O3
Exact Mass 380.161518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aEvGa2E4Er
Name 1H-1,2,4-Triazole-1-carboxamide, N-(4-chlorobutyl)-N-[4-(2-methoxyphenoxy)butyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.161518378 u
Formula C18H25ClN4O3
InChI InChI=1S/C18H25ClN4O3/c1-25-16-8-2-3-9-17(16)26-13-7-6-12-22(11-5-4-10-19)18(24)23-15-20-14-21-23/h2-3,8-9,14-15H,4-7,10-13H2,1H3
InChIKey DXUQNEDJWSVLFL-UHFFFAOYSA-N
Molecular Weight 380.876 g/mol
SMILES C1(=C(C=CC=C1)OC)OCCCCN(C(N1C=NC=N1)=O)CCCCCl