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D-Alanine, N-neopentyloxycarbonyl-, isohexyl ester

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

D-Alanine, N-neopentyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID 2GtQhlryl6F
InChI InChI=1S/C15H29NO4/c1-11(2)8-7-9-19-13(17)12(3)16-14(18)20-10-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,18)
InChIKey QOFOSMUMEOVLLS-UHFFFAOYSA-N
Mol Weight 287.4 g/mol
Molecular Formula C15H29NO4
Exact Mass 287.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BAjlbI2jM4U
Name D-Alanine, N-neopentyloxycarbonyl-, isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 287.209658414 u
Formula C15H29NO4
InChI InChI=1S/C15H29NO4/c1-11(2)8-7-9-19-13(17)12(3)16-14(18)20-10-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,18)
InChIKey QOFOSMUMEOVLLS-UHFFFAOYSA-N
SMILES CC(NC(OCC(C)(C)C)=O)C(OCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856188