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N,N-bis[Cyclohexyl]-o-[N-formyl-N-piperonyl]glycyl isourea

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N,N-bis[Cyclohexyl]-o-[N-formyl-N-piperonyl]glycyl isourea
SpectraBase Compound ID SsWSpaFnbZ
InChI InChI=1S/C24H33N3O5/c28-16-27(14-18-11-12-21-22(13-18)31-17-30-21)15-23(29)32-24(25-19-7-3-1-4-8-19)26-20-9-5-2-6-10-20/h11-13,16,19-20H,1-10,14-15,17H2,(H,25,26)
InChIKey BXVNRCWDIVQDKC-UHFFFAOYSA-N
Mol Weight 443.5 g/mol
Molecular Formula C24H33N3O5
Exact Mass 443.242021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7OG9jdaGi3c
Name N,N-bis[Cyclohexyl]-o-[N-formyl-N-piperonyl]glycyl isourea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.242021170 u
Formula C24H33N3O5
InChI InChI=1S/C24H33N3O5/c28-16-27(14-18-11-12-21-22(13-18)31-17-30-21)15-23(29)32-24(25-19-7-3-1-4-8-19)26-20-9-5-2-6-10-20/h11-13,16,19-20H,1-10,14-15,17H2,(H,25,26)
InChIKey BXVNRCWDIVQDKC-UHFFFAOYSA-N
Molecular Weight 443.544 g/mol
SMILES C1=CC(=CC2=C1OCO2)CN(C=O)CC(=O)O\C(=N/C1CCCCC1)NC1CCCCC1