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N,N-dicyclohexyl-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide

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N,N-dicyclohexyl-2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamide
SpectraBase Compound ID 7KDeyInanEe
InChI InChI=1S/C21H29N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h3,8-9,14-15,17-18H,1-2,4-7,10-13,16H2
InChIKey VMYWOLOKEJEKBQ-UHFFFAOYSA-N
Mol Weight 399.56 g/mol
Molecular Formula C21H29N5OS
Exact Mass 399.209282 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gnvj1UVdrCr
Name N,N-Dicyclohexyl-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.209281747 u
Formula C21H29N5OS
InChI InChI=1S/C21H29N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h3,8-9,14-15,17-18H,1-2,4-7,10-13,16H2
InChIKey VMYWOLOKEJEKBQ-UHFFFAOYSA-N
Molecular Weight 399.557 g/mol
SMILES C1CCC(N(C(CSC=2N(N=NN2)C2=CC=CC=C2)=O)C2CCCCC2)CC1