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Benzoic acid, 3-methoxy-, pentadecyl ester
SpectraBase Compound ID 5Waay3c2p3f
InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-23(24)21-17-16-18-22(20-21)25-2/h16-18,20H,3-15,19H2,1-2H3
InChIKey JVOYLBAHXOMJHN-UHFFFAOYSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KNsNKeyOtn
Name Benzoic acid, 3-methoxy-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 362.282095081 u
Formula C23H38O3
InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-23(24)21-17-16-18-22(20-21)25-2/h16-18,20H,3-15,19H2,1-2H3
InChIKey JVOYLBAHXOMJHN-UHFFFAOYSA-N
Molecular Weight 362.554 g/mol
SMILES C(OCCCCCCCCCCCCCCC)(=O)C1=CC(OC)=CC=C1