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(E)-3,4-bis-(Hexadecyloxy)-N-phenylbenzaldimine

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(E)-3,4-bis-(Hexadecyloxy)-N-phenylbenzaldimine
SpectraBase Compound ID 11DTh1LlpCd
InChI InChI=1S/C45H75NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-38-47-44-37-36-42(41-46-43-34-30-29-31-35-43)40-45(44)48-39-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-37,40-41H,3-28,32-33,38-39H2,1-2H3/b46-41+
InChIKey XNIFJTGQTYEVDA-BRODVBSUSA-N
Mol Weight 662.1 g/mol
Molecular Formula C45H75NO2
Exact Mass 661.579781 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1XEsTZa9XYP
Name (E)-3,4-bis-(Hexadecyloxy)-N-phenylbenzaldimine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 661.579780657 u
Formula C45H75NO2
InChI InChI=1S/C45H75NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-38-47-44-37-36-42(41-46-43-34-30-29-31-35-43)40-45(44)48-39-33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-31,34-37,40-41H,3-28,32-33,38-39H2,1-2H3/b46-41+
InChIKey XNIFJTGQTYEVDA-BRODVBSUSA-N
SMILES C1(\C=N\C2=CC=CC=C2)=CC(=C(C=C1)OCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920409