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Oxalic acid, monoamide, N-cycloheptyl-, dodecyl ester

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Oxalic acid, monoamide, N-cycloheptyl-, dodecyl ester
SpectraBase Compound ID HxRITkMK9y
InChI InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-12-15-18-25-21(24)20(23)22-19-16-13-10-11-14-17-19/h19H,2-18H2,1H3,(H,22,23)
InChIKey VSCVAWKOTLLPFU-UHFFFAOYSA-N
Mol Weight 353.5 g/mol
Molecular Formula C21H39NO3
Exact Mass 353.292994 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1p8Whs1H8OE
Name Oxalic acid, monoamide, N-cycloheptyl-, dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.292994117 u
Formula C21H39NO3
InChI InChI=1S/C21H39NO3/c1-2-3-4-5-6-7-8-9-12-15-18-25-21(24)20(23)22-19-16-13-10-11-14-17-19/h19H,2-18H2,1H3,(H,22,23)
InChIKey VSCVAWKOTLLPFU-UHFFFAOYSA-N
Molecular Weight 353.547 g/mol
SMILES CCCCCCCCCCCCOC(C(NC1CCCCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902747