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1-Naphthaleneacetic acid, hexadecyl ester

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

1-Naphthaleneacetic acid, hexadecyl ester
SpectraBase Compound ID GxL1lrKXYcn
InChI InChI=1S/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-30-28(29)24-26-21-18-20-25-19-15-16-22-27(25)26/h15-16,18-22H,2-14,17,23-24H2,1H3
InChIKey DVPGWPZAZCGSIU-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C28H42O2
Exact Mass 410.318481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXfXWBPpbbB
Name 1-Naphthaleneacetic acid, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.318480590 u
Formula C28H42O2
InChI InChI=1S/C28H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-30-28(29)24-26-21-18-20-25-19-15-16-22-27(25)26/h15-16,18-22H,2-14,17,23-24H2,1H3
InChIKey DVPGWPZAZCGSIU-UHFFFAOYSA-N
Molecular Weight 410.642 g/mol
SMILES C1=CC2=C(C=C1)C(=CC=C2)CC(=O)OCCCCCCCCCCCCCCCC