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2-N-Heptadec-13-enyl-4,4-dimethyloxazoline

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

2-N-Heptadec-13-enyl-4,4-dimethyloxazoline
SpectraBase Compound ID JSOhxnStiOB
InChI InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h6-7H,4-5,8-20H2,1-3H3/b7-6+
InChIKey BYWNJUDOICWWHQ-VOTSOKGWSA-N
Mol Weight 335.6 g/mol
Molecular Formula C22H41NO
Exact Mass 335.318815 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BHA93VPoeEF
Name 2-N-Heptadec-13-enyl-4,4-dimethyloxazoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 335.318814943 u
Formula C22H41NO
InChI InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h6-7H,4-5,8-20H2,1-3H3/b7-6+
InChIKey BYWNJUDOICWWHQ-VOTSOKGWSA-N
Molecular Weight 335.576 g/mol
SMILES C1(=NC(CO1)(C)C)CCCCCCCCCCCC\C=C\CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926328