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bis(Dodecanamido)methane
SpectraBase Compound ID ItMBhzzAVsJ
InChI InChI=1S/C45H90N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44(48)46-43-47-45(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3,(H,46,48)(H,47,49)
InChIKey JZDQOFJELQRWOI-UHFFFAOYSA-N
Mol Weight 691.2 g/mol
Molecular Formula C45H90N2O2
Exact Mass 690.70023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J0zE4kZikYb
Name bis(Dodecanamido)methane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 690.700230144 u
Formula C45H90N2O2
InChI InChI=1S/C45H90N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44(48)46-43-47-45(49)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-43H2,1-2H3,(H,46,48)(H,47,49)
InChIKey JZDQOFJELQRWOI-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCCCCC(NCNC(CCCCCCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862547