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N-(4',9'-Dimethyldecanoyl)-pyrrolidine

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

N-(4',9'-Dimethyldecanoyl)-pyrrolidine
SpectraBase Compound ID 9vFhSxQ2TA3
InChI InChI=1S/C16H31NO/c1-14(2)8-4-5-9-15(3)10-11-16(18)17-12-6-7-13-17/h14-15H,4-13H2,1-3H3
InChIKey HNSTVRMDBWBHHF-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 SOWBb7Y5Jm
Name N-(4',9'-Dimethyldecanoyl)-pyrrolidine
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/c1-14(2)8-4-5-9-15(3)10-11-16(18)17-12-6-7-13-17/h14-15H,4-13H2,1-3H3
InChIKey HNSTVRMDBWBHHF-UHFFFAOYSA-N
Molecular Weight 253.430 g/mol
SMILES C(N1CCCC1)(=O)CCC(CCCCC(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890638