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Sulfurous acid, hexyl tridecyl ester
SpectraBase Compound ID CiXdquGjnhe
InChI InChI=1S/C19H40O3S/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-23(20)21-18-16-8-6-4-2/h3-19H2,1-2H3
InChIKey OINVOYGSWLSMLK-UHFFFAOYSA-N
Mol Weight 348.6 g/mol
Molecular Formula C19H40O3S
Exact Mass 348.269816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DaTTj4nNNNl
Name Sulfurous acid, hexyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.269816319 u
Formula C19H40O3S
InChI InChI=1S/C19H40O3S/c1-3-5-7-9-10-11-12-13-14-15-17-19-22-23(20)21-18-16-8-6-4-2/h3-19H2,1-2H3
InChIKey OINVOYGSWLSMLK-UHFFFAOYSA-N
Molecular Weight 348.586 g/mol
SMILES C(COS(OCCCCCCCCCCCCC)=O)CCCC