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10-Methyl-dodecanoic acid, pyrrolidide

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

10-Methyl-dodecanoic acid, pyrrolidide
SpectraBase Compound ID 96F3OSazlZx
InChI InChI=1S/C17H33NO/c1-3-16(2)12-8-6-4-5-7-9-13-17(19)18-14-10-11-15-18/h16H,3-15H2,1-2H3
InChIKey JMWXGFPVLZMKBP-UHFFFAOYSA-N
Mol Weight 267.5 g/mol
Molecular Formula C17H33NO
Exact Mass 267.256215 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2BZcw7Q2DHY
Name 10-Methyl-dodecanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.256214686 u
Formula C17H33NO
InChI InChI=1S/C17H33NO/c1-3-16(2)12-8-6-4-5-7-9-13-17(19)18-14-10-11-15-18/h16H,3-15H2,1-2H3
InChIKey JMWXGFPVLZMKBP-UHFFFAOYSA-N
Molecular Weight 267.457 g/mol
SMILES C(N1CCCC1)(CCCCCCCCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943394