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Phthalic acid, hexyl 2-(methylthio)phenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 2-(methylthio)phenyl ester
SpectraBase Compound ID Lm2JFpQcrIH
InChI InChI=1S/C21H24O4S/c1-3-4-5-10-15-24-20(22)16-11-6-7-12-17(16)21(23)25-18-13-8-9-14-19(18)26-2/h6-9,11-14H,3-5,10,15H2,1-2H3
InChIKey PCSXTVMEYXNNJQ-UHFFFAOYSA-N
Mol Weight 372.48 g/mol
Molecular Formula C21H24O4S
Exact Mass 372.13953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUzR6JNOrdn
Name Phthalic acid, hexyl 2-(methylthio)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 372.139530423 u
Formula C21H24O4S
InChI InChI=1S/C21H24O4S/c1-3-4-5-10-15-24-20(22)16-11-6-7-12-17(16)21(23)25-18-13-8-9-14-19(18)26-2/h6-9,11-14H,3-5,10,15H2,1-2H3
InChIKey PCSXTVMEYXNNJQ-UHFFFAOYSA-N
Molecular Weight 372.479 g/mol
SMILES C1=CC(=C(C=C1)C(OCCCCCC)=O)C(OC1=C(SC)C=CC=C1)=O