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5-Aminovaleric acid, N-isopropyloxycarbonyl-, isopropyl ester

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

5-Aminovaleric acid, N-isopropyloxycarbonyl-, isopropyl ester
SpectraBase Compound ID LDEzb05zK1q
InChI InChI=1S/C12H23NO4/c1-9(2)16-11(14)7-5-6-8-13-12(15)17-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKey QUMBUBRQUVUAHT-UHFFFAOYSA-N
Mol Weight 245.32 g/mol
Molecular Formula C12H23NO4
Exact Mass 245.162708 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F4Fzgzq6O9E
Name 5-Aminovaleric 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 245.162708221 u
Formula C12H23NO4
InChI InChI=1S/C12H23NO4/c1-9(2)16-11(14)7-5-6-8-13-12(15)17-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKey QUMBUBRQUVUAHT-UHFFFAOYSA-N
Molecular Weight 245.319 g/mol
SMILES C(NC(OC(C)C)=O)CCCC(OC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972623