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Butanoic acid, undec-2-enyl ester

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Butanoic acid, undec-2-enyl ester
SpectraBase Compound ID BCfwYwNyWPB
InChI InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+
InChIKey YKKKIRWPZWWRHL-VAWYXSNFSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cbjxmw02AvS
Name Butanoic acid, undec-2-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11+
InChIKey YKKKIRWPZWWRHL-VAWYXSNFSA-N
Molecular Weight 240.387 g/mol
SMILES CCCC(=O)OC\C=C\CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.962144