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4,4-Dimethyl-2-(hexadec-9-en-7-ynyl)-2-oxazoline(trans)

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

4,4-Dimethyl-2-(hexadec-9-en-7-ynyl)-2-oxazoline(trans)
SpectraBase Compound ID DTtYeHKlvvH
InChI InChI=1S/C21H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h9-10H,4-8,13-19H2,1-3H3/b10-9+
InChIKey MODTVCKMXUORRE-MDZDMXLPSA-N
Mol Weight 317.5 g/mol
Molecular Formula C21H35NO
Exact Mass 317.271865 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5HPgynfLD7J
Name 4,4-Dimethyl-2-(hexadec-9-en-7-ynyl)-2-oxazoline(trans)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.271864750 u
Formula C21H35NO
InChI InChI=1S/C21H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h9-10H,4-8,13-19H2,1-3H3/b10-9+
InChIKey MODTVCKMXUORRE-MDZDMXLPSA-N
Molecular Weight 317.517 g/mol
SMILES C1(=NC(C)(C)CO1)CCCCCCC#C\C=C\CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981261