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D-Proline, N-neopentyloxycarbonyl-, pentadecyl ester

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

D-Proline, N-neopentyloxycarbonyl-, pentadecyl ester
SpectraBase Compound ID SC10YsCL0J
InChI InChI=1S/C26H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-24(28)23-19-18-20-27(23)25(29)31-22-26(2,3)4/h23H,5-22H2,1-4H3
InChIKey QNPTZWHYFCPRIX-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C26H49NO4
Exact Mass 439.366159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6MQnfTFRS3
Name D-Proline, N-neopentyloxycarbonyl-, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.366159058 u
Formula C26H49NO4
InChI InChI=1S/C26H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-24(28)23-19-18-20-27(23)25(29)31-22-26(2,3)4/h23H,5-22H2,1-4H3
InChIKey QNPTZWHYFCPRIX-UHFFFAOYSA-N
Molecular Weight 439.681 g/mol
SMILES C1CN(C(OCC(C)(C)C)=O)C(C1)C(OCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847777