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Methyl (Z)-2-methoxy-6-(heptadec-8-en-1-yl)benzoate

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Methyl (Z)-2-methoxy-6-(heptadec-8-en-1-yl)benzoate
SpectraBase Compound ID 3OrBAYKnWrt
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/h11-12,19,21-22H,4-10,13-18,20H2,1-3H3/b12-11-
InChIKey GAGMNKNJQSLFIE-QXMHVHEDSA-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 6a5de0I7Qh8
Name Methyl (Z)-2-methoxy-6-(heptadec-8-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/h11-12,19,21-22H,4-10,13-18,20H2,1-3H3/b12-11-
InChIKey GAGMNKNJQSLFIE-QXMHVHEDSA-N
Molecular Weight 402.619 g/mol
SMILES C(C1=C(C=CC=C1OC)CCCCCCC\C=C/CCCCCCCC)(=O)OC