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Glutaric acid, hexadecyl 4-(methylthio)benzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hexadecyl 4-(methylthio)benzyl ester
SpectraBase Compound ID HuHOs7Fympt
InChI InChI=1S/C28H46O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-31-27(29)18-17-19-28(30)32-25-20-22-26(33-2)23-21-25/h20-23H,3-19,24H2,1-2H3
InChIKey KYGWDACJDNYBET-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C28H46O4S
Exact Mass 478.311681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IF1Jd63UFJw
Name Glutaric acid, hexadecyl 4-(methylthio)benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 478.311681131 u
Formula C28H46O4S
InChI InChI=1S/C28H46O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-31-27(29)18-17-19-28(30)32-25-20-22-26(33-2)23-21-25/h20-23H,3-19,24H2,1-2H3
InChIKey KYGWDACJDNYBET-UHFFFAOYSA-N
Molecular Weight 478.732 g/mol
SMILES CSC1=CC=C(OC(=O)CCCC(=O)OCCCCCCCCCCCCCCCC)C=C1