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10-Methyl-undecanoic acid, pyrrolidide

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

10-Methyl-undecanoic acid, pyrrolidide
SpectraBase Compound ID DC3ZZ1hv9j3
InChI InChI=1S/C16H31NO/c1-15(2)11-7-5-3-4-6-8-12-16(18)17-13-9-10-14-17/h15H,3-14H2,1-2H3
InChIKey ULIMQHAOBZTZFS-UHFFFAOYSA-N
Mol Weight 253.43 g/mol
Molecular Formula C16H31NO
Exact Mass 253.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6bh3zo9oY61
Name 10-Methyl-undecanoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.240564621 u
Formula C16H31NO
InChI InChI=1S/C16H31NO/c1-15(2)11-7-5-3-4-6-8-12-16(18)17-13-9-10-14-17/h15H,3-14H2,1-2H3
InChIKey ULIMQHAOBZTZFS-UHFFFAOYSA-N
Molecular Weight 253.430 g/mol
SMILES C(N1CCCC1)(CCCCCCCCC(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954885