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1,8-bis(n-Decyloxy)-4-anthraldazine

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

1,8-bis(n-Decyloxy)-4-anthraldazine
SpectraBase Compound ID J00J78AUqZt
InChI InChI=1S/C70H100N2O4/c1-5-9-13-17-21-25-29-33-47-73-67-41-37-39-57-51-61-59(43-45-69(65(61)53-63(57)67)75-49-35-31-27-23-19-15-11-7-3)55-71-72-56-60-44-46-70(76-50-36-32-28-24-20-16-12-8-4)66-54-64-58(52-62(60)66)40-38-42-68(64)74-48-34-30-26-22-18-14-10-6-2/h37-46,51-56H,5-36,47-50H2,1-4H3/b71-55+,72-56+
InChIKey HVMCAVBUCFJJIV-NNJWUXAESA-N
Mol Weight 1033.6 g/mol
Molecular Formula C70H100N2O4
Exact Mass 1032.76831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwzKJmdZoae
Name 1,8-bis(N-Decyloxy)-4-anthraldazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1032.768309704 u
Formula C70H100N2O4
InChI InChI=1S/C70H100N2O4/c1-5-9-13-17-21-25-29-33-47-73-67-41-37-39-57-51-61-59(43-45-69(65(61)53-63(57)67)75-49-35-31-27-23-19-15-11-7-3)55-71-72-56-60-44-46-70(76-50-36-32-28-24-20-16-12-8-4)66-54-64-58(52-62(60)66)40-38-42-68(64)74-48-34-30-26-22-18-14-10-6-2/h37-46,51-56H,5-36,47-50H2,1-4H3/b71-55+,72-56+
InChIKey HVMCAVBUCFJJIV-NNJWUXAESA-N
Molecular Weight 1033.580 g/mol
SMILES C=12C(C=C3C(=C2)C(OCCCCCCCCCC)=CC=C3)=C(\C=N\N=C\C2=C3C(C=C4C(=C3)C=CC=C4OCCCCCCCCCC)=C(C=C2)OCCCCCCCCCC)C=CC1OCCCCCCCCCC