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3,4,5-Tris(dodecyloxy)benzoyl-azide

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

3,4,5-Tris(dodecyloxy)benzoyl-azide
SpectraBase Compound ID 3a4lijclBmf
InChI InChI=1S/C43H77N3O4/c1-4-7-10-13-16-19-22-25-28-31-34-48-40-37-39(43(47)45-46-44)38-41(49-35-32-29-26-23-20-17-14-11-8-5-2)42(40)50-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3
InChIKey BUMXPBBZFNWGMY-UHFFFAOYSA-N
Mol Weight 700.1 g/mol
Molecular Formula C43H77N3O4
Exact Mass 699.591408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LkzJDkHgLUV
Name 3,4,5-Tris(dodecyloxy)benzoyl-azide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 699.591407967 u
Formula C43H77N3O4
InChI InChI=1S/C43H77N3O4/c1-4-7-10-13-16-19-22-25-28-31-34-48-40-37-39(43(47)45-46-44)38-41(49-35-32-29-26-23-20-17-14-11-8-5-2)42(40)50-36-33-30-27-24-21-18-15-12-9-6-3/h37-38H,4-36H2,1-3H3
InChIKey BUMXPBBZFNWGMY-UHFFFAOYSA-N
SMILES C(N=[N+]=[N-])(C1=CC(OCCCCCCCCCCCC)=C(C(=C1)OCCCCCCCCCCCC)OCCCCCCCCCCCC)=O