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Benz[cd]indol-2(1H)-one, 1-[(octadecyloxy)methyl]-

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

Benz[cd]indol-2(1H)-one, 1-[(octadecyloxy)methyl]-
SpectraBase Compound ID DfI8T0sxGoE
InChI InChI=1S/C30H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-25-31-28-23-19-21-26-20-18-22-27(29(26)28)30(31)32/h18-23H,2-17,24-25H2,1H3
InChIKey AYUREWRVCZZDMN-UHFFFAOYSA-N
Mol Weight 451.7 g/mol
Molecular Formula C30H45NO2
Exact Mass 451.34503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmBhx7hGjqk
Name Benz[cd]indol-2(1H)-one, 1-[(octadecyloxy)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.345029691 u
Formula C30H45NO2
InChI InChI=1S/C30H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-25-31-28-23-19-21-26-20-18-22-27(29(26)28)30(31)32/h18-23H,2-17,24-25H2,1H3
InChIKey AYUREWRVCZZDMN-UHFFFAOYSA-N
Molecular Weight 451.695 g/mol
SMILES C1(N(C2=C3C(C=CC=C13)=CC=C2)COCCCCCCCCCCCCCCCCCC)=O