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L-Proline, N-isobutoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID C4xD2lSJ8TN
InChI InChI=1S/C25H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)23-18-17-19-26(23)25(28)30-21-22(2)3/h22-23H,4-21H2,1-3H3
InChIKey XFMWCKULNPJPNZ-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C25H47NO4
Exact Mass 425.350509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4lNRTaas2u5
Name L-Proline, N-isobutoxycarbonyl-, pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.350508993 u
Formula C25H47NO4
InChI InChI=1S/C25H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-24(27)23-18-17-19-26(23)25(28)30-21-22(2)3/h22-23H,4-21H2,1-3H3
InChIKey XFMWCKULNPJPNZ-UHFFFAOYSA-N
Molecular Weight 425.654 g/mol
SMILES C1(N(CCC1)C(=O)OCC(C)C)C(OCCCCCCCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87568