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Methyl (Z)-2-methoxy-6-(heptadec-10-en-1-yl)benzoate

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

Methyl (Z)-2-methoxy-6-(heptadec-10-en-1-yl)benzoate
SpectraBase Compound ID EFS3QCViIO4
InChI InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(28-2)25(23)26(27)29-3/h9-10,19,21-22H,4-8,11-18,20H2,1-3H3/b10-9-
InChIKey OWEILIZLTWHWKK-KTKRTIGZSA-N
Mol Weight 402.6 g/mol
Molecular Formula C26H42O3
Exact Mass 402.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7yLd3YvH2D
Name Methyl (Z)-2-methoxy-6-(heptadec-10-en-1-yl)benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.313395209 u
Formula C26H42O3
InChI InChI=1S/C26H42O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(28-2)25(23)26(27)29-3/h9-10,19,21-22H,4-8,11-18,20H2,1-3H3/b10-9-
InChIKey OWEILIZLTWHWKK-KTKRTIGZSA-N
Molecular Weight 402.619 g/mol
SMILES C(C1=C(C=CC=C1OC)CCCCCCCCC\C=C/CCCCCC)(=O)OC