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Oxalic acid, monoamide, N-propyl, isohexyl ester

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Oxalic acid, monoamide, N-propyl, isohexyl ester
SpectraBase Compound ID 77aFQ21e654
InChI InChI=1S/C11H21NO3/c1-4-7-12-10(13)11(14)15-8-5-6-9(2)3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKey QXWNEHALUZUVKV-UHFFFAOYSA-N
Mol Weight 215.29 g/mol
Molecular Formula C11H21NO3
Exact Mass 215.152144 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 61FrQ9zEezu
Name Oxalic acid, monoamide, N-propyl, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.152143537 u
Formula C11H21NO3
InChI InChI=1S/C11H21NO3/c1-4-7-12-10(13)11(14)15-8-5-6-9(2)3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKey QXWNEHALUZUVKV-UHFFFAOYSA-N
Molecular Weight 215.293 g/mol
SMILES CC(C)CCCOC(C(NCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898589