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Aminocaproic acid, N-isopropyloxycarbonyl-, isopropyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Aminocaproic acid, N-isopropyloxycarbonyl-, isopropyl ester
SpectraBase Compound ID 5wOjzHCJEAr
InChI InChI=1S/C13H25NO4/c1-10(2)17-12(15)8-6-5-7-9-14-13(16)18-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKey VXACRAHRLFYGIM-UHFFFAOYSA-N
Mol Weight 259.35 g/mol
Molecular Formula C13H25NO4
Exact Mass 259.178358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IIHWQW3cPKD
Name Aminocaproic acid, N-isopropyloxycarbonyl-, isopropyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 259.178358285 u
Formula C13H25NO4
InChI InChI=1S/C13H25NO4/c1-10(2)17-12(15)8-6-5-7-9-14-13(16)18-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKey VXACRAHRLFYGIM-UHFFFAOYSA-N
Molecular Weight 259.346 g/mol
SMILES C(CCCCNC(OC(C)C)=O)C(=O)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971431