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Oxalic acid, monoamide, N-(2-octyl)-, ethyl ester

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Oxalic acid, monoamide, N-(2-octyl)-, ethyl ester
SpectraBase Compound ID 52C0GXa8EpJ
InChI InChI=1S/C12H23NO3/c1-4-6-7-8-9-10(3)13-11(14)12(15)16-5-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKey UUVDPNSEODIIPA-UHFFFAOYSA-N
Mol Weight 229.32 g/mol
Molecular Formula C12H23NO3
Exact Mass 229.167794 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HWC2ck8flzm
Name Oxalic acid, monoamide, N-(2-octyl)-, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 229.167793602 u
Formula C12H23NO3
InChI InChI=1S/C12H23NO3/c1-4-6-7-8-9-10(3)13-11(14)12(15)16-5-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKey UUVDPNSEODIIPA-UHFFFAOYSA-N
Molecular Weight 229.320 g/mol
SMILES C(C(=O)OCC)(=O)NC(CCCCCC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848891