For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(4,8,11-Trihexanoyl-1,4,8,11-tetraaza-cyclotetradec-1-yl)-hexan-1-one

View entire compound with spectra: 1 NMR, and 3 MS (GC)

1-(4,8,11-Trihexanoyl-1,4,8,11-tetraaza-cyclotetradec-1-yl)-hexan-1-one
SpectraBase Compound ID KJyj6UhlmoV
InChI InChI=1S/C34H64N4O4/c1-5-9-13-19-31(39)35-23-17-24-37(33(41)21-15-11-7-3)29-30-38(34(42)22-16-12-8-4)26-18-25-36(28-27-35)32(40)20-14-10-6-2/h5-30H2,1-4H3
InChIKey UWMGZNVJZFDLBS-UHFFFAOYSA-N
Mol Weight 592.9 g/mol
Molecular Formula C34H64N4O4
Exact Mass 592.492757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 90t03F3lIUv
Name 1-(4,8,11-Trihexanoyl-1,4,8,11-tetraaza-cyclotetradec-1-yl)-hexan-1-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 592.492756553 u
Formula C34H64N4O4
InChI InChI=1S/C34H64N4O4/c1-5-9-13-19-31(39)35-23-17-24-37(33(41)21-15-11-7-3)29-30-38(34(42)22-16-12-8-4)26-18-25-36(28-27-35)32(40)20-14-10-6-2/h5-30H2,1-4H3
InChIKey UWMGZNVJZFDLBS-UHFFFAOYSA-N
Molecular Weight 592.910 g/mol
SMILES C(=O)(N1CCN(C(CCCCC)=O)CCCN(CCN(CCC1)C(=O)CCCCC)C(CCCCC)=O)CCCCC