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1-Ethenyl-7-methylnonyl prop-2-enoate

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

1-Ethenyl-7-methylnonyl prop-2-enoate
SpectraBase Compound ID 2pX8sVCGwuc
InChI InChI=1S/C15H26O2/c1-5-13(4)11-9-8-10-12-14(6-2)17-15(16)7-3/h6-7,13-14H,2-3,5,8-12H2,1,4H3
InChIKey TWXJMPDHSKXVID-UHFFFAOYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DC3LT6OGMpA
Name 1-Ethenyl-7-methylnonyl prop-2-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-5-13(4)11-9-8-10-12-14(6-2)17-15(16)7-3/h6-7,13-14H,2-3,5,8-12H2,1,4H3
InChIKey TWXJMPDHSKXVID-UHFFFAOYSA-N
Molecular Weight 238.371 g/mol
SMILES C(C=C)(=O)OC(CCCCCC(CC)C)C=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844877