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L-Proline, N-(cyclopropylcarbonyl)-, hexadecyl ester

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

L-Proline, N-(cyclopropylcarbonyl)-, hexadecyl ester
SpectraBase Compound ID 8dldSKQ4B6Z
InChI InChI=1S/C25H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-25(28)23-17-16-20-26(23)24(27)22-18-19-22/h22-23H,2-21H2,1H3
InChIKey ZGFBZKLOWCQHLG-UHFFFAOYSA-N
Mol Weight 407.6 g/mol
Molecular Formula C25H45NO3
Exact Mass 407.339944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5wdoG2paaq4
Name L-Proline, N-(cyclopropylcarbonyl)-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.339944310 u
Formula C25H45NO3
InChI InChI=1S/C25H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-25(28)23-17-16-20-26(23)24(27)22-18-19-22/h22-23H,2-21H2,1H3
InChIKey ZGFBZKLOWCQHLG-UHFFFAOYSA-N
Molecular Weight 407.639 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C1N(CCC1)C(=O)C1CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892929