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Pipecolic acid, N-isobutoxycarbonyl-, tetradecyl ester

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

Pipecolic acid, N-isobutoxycarbonyl-, tetradecyl ester
SpectraBase Compound ID GGtPJTHVEIK
InChI InChI=1S/C25H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-29-24(27)23-18-15-16-19-26(23)25(28)30-21-22(2)3/h22-23H,4-21H2,1-3H3
InChIKey MLZFQPMZZJHLMS-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 9aXwdvLNEK7
Name Pipecolic acid, N-isobutoxycarbonyl-, tetradecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-29-24(27)23-18-15-16-19-26(23)25(28)30-21-22(2)3/h22-23H,4-21H2,1-3H3
InChIKey MLZFQPMZZJHLMS-UHFFFAOYSA-N
Molecular Weight 425.654 g/mol
SMILES C1CCN(C(C1)C(OCCCCCCCCCCCCCC)=O)C(OCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.860697