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Methyl (Z)-2-methoxy-6-(tridec-8-en-1-yl)benzoate
SpectraBase Compound ID KU6oWhlp3qJ
InChI InChI=1S/C22H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(24-2)21(19)22(23)25-3/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3/b8-7-
InChIKey RVQNKGNNKIIHPR-FPLPWBNLSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2A1YEOihaaO
Name Methyl (Z)-2-methoxy-6-(tridec-8-en-1-yl)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 346.250794952 u
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(24-2)21(19)22(23)25-3/h7-8,15,17-18H,4-6,9-14,16H2,1-3H3/b8-7-
InChIKey RVQNKGNNKIIHPR-FPLPWBNLSA-N
Molecular Weight 346.511 g/mol
SMILES C(C1=C(C=CC=C1OC)CCCCCCC\C=C/CCCC)(=O)OC