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13,17,21-Triacetyl-13,17,21-triaza-24-tetracosane lactam

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

13,17,21-Triacetyl-13,17,21-triaza-24-tetracosane lactam
SpectraBase Compound ID 8TAu8ON3pXh
InChI InChI=1S/C27H50N4O4/c1-24(32)29-18-12-10-8-6-4-5-7-9-11-16-27(35)28-17-13-19-30(25(2)33)21-15-23-31(26(3)34)22-14-20-29/h4-23H2,1-3H3,(H,28,35)
InChIKey GTLHLRPWGHMENW-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C27H50N4O4
Exact Mass 494.383206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnFUDwI4jDv
Name 13,17,21-Triacetyl-13,17,21-triaza-24-tetracosane lactam
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.383206102 u
Formula C27H50N4O4
InChI InChI=1S/C27H50N4O4/c1-24(32)29-18-12-10-8-6-4-5-7-9-11-16-27(35)28-17-13-19-30(25(2)33)21-15-23-31(26(3)34)22-14-20-29/h4-23H2,1-3H3,(H,28,35)
InChIKey GTLHLRPWGHMENW-UHFFFAOYSA-N
Molecular Weight 494.721 g/mol
SMILES C1CCN(CCCN(CCCNC(CCCCCCCCCCCN1C(C)=O)=O)C(C)=O)C(C)=O