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

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

L-Proline, N-(hexanoyl)-, hexadecyl ester
SpectraBase Compound ID ERxx7ct4OPi
InChI InChI=1S/C27H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-24-31-27(30)25-21-20-23-28(25)26(29)22-18-6-4-2/h25H,3-24H2,1-2H3
InChIKey BVAHNWSMVAURIM-UHFFFAOYSA-N
Mol Weight 437.7 g/mol
Molecular Formula C27H51NO3
Exact Mass 437.386895 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2xvDsS3bRN6
Name L-Proline, N-(hexanoyl)-, hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.386894503 u
Formula C27H51NO3
InChI InChI=1S/C27H51NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-24-31-27(30)25-21-20-23-28(25)26(29)22-18-6-4-2/h25H,3-24H2,1-2H3
InChIKey BVAHNWSMVAURIM-UHFFFAOYSA-N
Molecular Weight 437.709 g/mol
SMILES C(CCC(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955505