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1-(1,4,12-Trihexanoyl-1,4,8,12-tetraaza-cyclopentadec-8-yl)-hexan-1-one
SpectraBase Compound ID 4NTD2PtyvAG
InChI InChI=1S/C35H66N4O4/c1-5-9-13-20-32(40)36-24-17-25-37(33(41)21-14-10-6-2)27-19-29-39(35(43)23-16-12-8-4)31-30-38(28-18-26-36)34(42)22-15-11-7-3/h5-31H2,1-4H3
InChIKey WQZAVPRXBSFZCW-UHFFFAOYSA-N
Mol Weight 606.9 g/mol
Molecular Formula C35H66N4O4
Exact Mass 606.508407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7vB01x05MVa
Name 1-(1,4,12-Trihexanoyl-1,4,8,12-tetraaza-cyclopentadec-8-yl)-hexan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 606.508406617 u
Formula C35H66N4O4
InChI InChI=1S/C35H66N4O4/c1-5-9-13-20-32(40)36-24-17-25-37(33(41)21-14-10-6-2)27-19-29-39(35(43)23-16-12-8-4)31-30-38(28-18-26-36)34(42)22-15-11-7-3/h5-31H2,1-4H3
InChIKey WQZAVPRXBSFZCW-UHFFFAOYSA-N
Molecular Weight 606.937 g/mol
SMILES C(=O)(CCCCC)N1CCCN(C(CCCCC)=O)CCCN(CCN(CCC1)C(=O)CCCCC)C(CCCCC)=O