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12-chloro-N-(8-phthalimido-4-azaoctyl)-16-hexadecane-lactam

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

12-chloro-N-(8-phthalimido-4-azaoctyl)-16-hexadecane-lactam
SpectraBase Compound ID KYSDubacdh9
InChI InChI=1S/C31H48ClN3O3/c32-26-16-7-5-3-1-2-4-6-8-20-29(36)34(23-13-11-17-26)24-15-22-33-21-12-14-25-35-30(37)27-18-9-10-19-28(27)31(35)38/h9-10,18-19,26,33H,1-8,11-17,20-25H2
InChIKey FRUQHZYOQHEFQJ-UHFFFAOYSA-N
Mol Weight 546.2 g/mol
Molecular Formula C31H48ClN3O3
Exact Mass 545.33842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55JLy2j7F2e
Name 12-Chloro-N-(8-phthalimido-4-azaoctyl)-16-hexadecane-lactam
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 545.338420115 u
Formula C31H48ClN3O3
InChI InChI=1S/C31H48ClN3O3/c32-26-16-7-5-3-1-2-4-6-8-20-29(36)34(23-13-11-17-26)24-15-22-33-21-12-14-25-35-30(37)27-18-9-10-19-28(27)31(35)38/h9-10,18-19,26,33H,1-8,11-17,20-25H2
InChIKey FRUQHZYOQHEFQJ-UHFFFAOYSA-N
Molecular Weight 546.196 g/mol
SMILES C1(N(C(C=2C=CC=CC12)=O)CCCCNCCCN1C(=O)CCCCCCCCCCC(Cl)CCCC1)=O