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Hexadec-5-enoic acid, pyrrolidide

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

Hexadec-5-enoic acid, pyrrolidide
SpectraBase Compound ID LgGt90WmHii
InChI InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h11-12H,2-10,13-19H2,1H3/b12-11-
InChIKey KSCVWPRZKHWZJN-QXMHVHEDSA-N
Mol Weight 307.5 g/mol
Molecular Formula C20H37NO
Exact Mass 307.287515 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2HVCuIvldW3
Name Hexadec-5-enoic acid, pyrrolidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.287514814 u
Formula C20H37NO
InChI InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(22)21-18-15-16-19-21/h11-12H,2-10,13-19H2,1H3/b12-11-
InChIKey KSCVWPRZKHWZJN-QXMHVHEDSA-N
Molecular Weight 307.522 g/mol
SMILES C1N(CCC1)C(CCC\C=C/CCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948921