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D-Proline, N-neopentyloxycarbonyl-, neopentyl ester

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

D-Proline, N-neopentyloxycarbonyl-, neopentyl ester
SpectraBase Compound ID BYn0EtmIXAY
InChI InChI=1S/C16H29NO4/c1-15(2,3)10-20-13(18)12-8-7-9-17(12)14(19)21-11-16(4,5)6/h12H,7-11H2,1-6H3
InChIKey FTRKWKJHMPIAFN-UHFFFAOYSA-N
Mol Weight 299.41 g/mol
Molecular Formula C16H29NO4
Exact Mass 299.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EXTLhrJ04hT
Name D-Proline, N-neopentyloxycarbonyl-, neopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.209658414 u
Formula C16H29NO4
InChI InChI=1S/C16H29NO4/c1-15(2,3)10-20-13(18)12-8-7-9-17(12)14(19)21-11-16(4,5)6/h12H,7-11H2,1-6H3
InChIKey FTRKWKJHMPIAFN-UHFFFAOYSA-N
SMILES C1CN(C(OCC(C)(C)C)=O)C(C1)C(OCC(C)(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930321