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o-Toluic acid, 3-pentadecyl ester
SpectraBase Compound ID 8DJQTtitYAW
InChI InChI=1S/C23H38O2/c1-4-6-7-8-9-10-11-12-13-14-18-21(5-2)25-23(24)22-19-16-15-17-20(22)3/h15-17,19,21H,4-14,18H2,1-3H3
InChIKey WUOZPZGNWDBHIV-UHFFFAOYSA-N
Mol Weight 346.6 g/mol
Molecular Formula C23H38O2
Exact Mass 346.28718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKiSXrfBEFv
Name o-Toluic acid, 3-pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.287180462 u
Formula C23H38O2
InChI InChI=1S/C23H38O2/c1-4-6-7-8-9-10-11-12-13-14-18-21(5-2)25-23(24)22-19-16-15-17-20(22)3/h15-17,19,21H,4-14,18H2,1-3H3
InChIKey WUOZPZGNWDBHIV-UHFFFAOYSA-N
Molecular Weight 346.555 g/mol
SMILES C1=CC=C(C(=C1)C)C(OC(CCCCCCCCCCCC)CC)=O