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Methyl trans-7-methoxy-9-methylhexadec-4-enoate

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

Methyl trans-7-methoxy-9-methylhexadec-4-enoate
SpectraBase Compound ID zlewnSC1cT
InChI InChI=1S/C19H36O3/c1-5-6-7-8-10-13-17(2)16-18(21-3)14-11-9-12-15-19(20)22-4/h9,11,17-18H,5-8,10,12-16H2,1-4H3/b11-9+
InChIKey COZAOKHOTRFBHH-PKNBQFBNSA-N
Mol Weight 312.5 g/mol
Molecular Formula C19H36O3
Exact Mass 312.266445 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F1iE4UQerin
Name Methyl trans-7-methoxy-9-methylhexadec-4-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.266445016 u
Formula C19H36O3
InChI InChI=1S/C19H36O3/c1-5-6-7-8-10-13-17(2)16-18(21-3)14-11-9-12-15-19(20)22-4/h9,11,17-18H,5-8,10,12-16H2,1-4H3/b11-9+
InChIKey COZAOKHOTRFBHH-PKNBQFBNSA-N
SMILES C(=O)(OC)CC\C=C\CC(CC(CCCCCCC)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982008