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Oxalic acid, monoamide, N-(2-ethylhexyl)-, isohexyl ester

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Oxalic acid, monoamide, N-(2-ethylhexyl)-, isohexyl ester
SpectraBase Compound ID 2KvSZ07S7D3
InChI InChI=1S/C16H31NO3/c1-5-7-10-14(6-2)12-17-15(18)16(19)20-11-8-9-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,18)
InChIKey XWTTWWDANAIZEW-UHFFFAOYSA-N
Mol Weight 285.43 g/mol
Molecular Formula C16H31NO3
Exact Mass 285.230394 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DEVxrcMtLLU
Name Oxalic acid, monoamide, N-(2-ethylhexyl)-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.230393859 u
Formula C16H31NO3
InChI InChI=1S/C16H31NO3/c1-5-7-10-14(6-2)12-17-15(18)16(19)20-11-8-9-13(3)4/h13-14H,5-12H2,1-4H3,(H,17,18)
InChIKey XWTTWWDANAIZEW-UHFFFAOYSA-N
SMILES CC(C)CCCOC(C(=O)NCC(CCCC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966975