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13-Methyl-eicosanoic acid, pyrrolidide

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

13-Methyl-eicosanoic acid, pyrrolidide
SpectraBase Compound ID 3JPtddb9ysF
InChI InChI=1S/C25H49NO/c1-3-4-5-11-14-19-24(2)20-15-12-9-7-6-8-10-13-16-21-25(27)26-22-17-18-23-26/h24H,3-23H2,1-2H3
InChIKey IHUSSENJNBHEEA-UHFFFAOYSA-N
Mol Weight 379.7 g/mol
Molecular Formula C25H49NO
Exact Mass 379.381415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8EOq3sCHeqh
Name 13-Methyl-eicosanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.381415201 u
Formula C25H49NO
InChI InChI=1S/C25H49NO/c1-3-4-5-11-14-19-24(2)20-15-12-9-7-6-8-10-13-16-21-25(27)26-22-17-18-23-26/h24H,3-23H2,1-2H3
InChIKey IHUSSENJNBHEEA-UHFFFAOYSA-N
Molecular Weight 379.673 g/mol
SMILES C1N(CCC1)C(CCCCCCCCCCCC(CCCCCCC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920863