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6-Aminocaproic acid, N-propoxycarbonyl-, isobutyl ester

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6-Aminocaproic acid, N-propoxycarbonyl-, isobutyl ester
SpectraBase Compound ID H7th9isR4l0
InChI InChI=1S/C14H27NO4/c1-4-10-18-14(17)15-9-7-5-6-8-13(16)19-11-12(2)3/h12H,4-11H2,1-3H3,(H,15,17)
InChIKey SGZZHYSMLUHMJQ-UHFFFAOYSA-N
Mol Weight 273.37 g/mol
Molecular Formula C14H27NO4
Exact Mass 273.194008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fa5VFIxOZHT
Name 6-Aminocaproic acid, N-propoxycarbonyl-, isobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 273.194008349 u
Formula C14H27NO4
InChI InChI=1S/C14H27NO4/c1-4-10-18-14(17)15-9-7-5-6-8-13(16)19-11-12(2)3/h12H,4-11H2,1-3H3,(H,15,17)
InChIKey SGZZHYSMLUHMJQ-UHFFFAOYSA-N
SMILES CCCOC(NCCCCCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.885038