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Furan-2-carboxylic acid, 5-(4-chlorophenylthiomethyl)-, 4-isopropylbenzyl ester
SpectraBase Compound ID HjJ5erxBp7x
InChI InChI=1S/C22H21ClO3S/c1-15(2)17-5-3-16(4-6-17)13-25-22(24)21-12-9-19(26-21)14-27-20-10-7-18(23)8-11-20/h3-12,15H,13-14H2,1-2H3
InChIKey XCCKMXXRSMYHBZ-UHFFFAOYSA-N
Mol Weight 400.92 g/mol
Molecular Formula C22H21ClO3S
Exact Mass 400.089993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcE3V8KthyW
Name Furan-2-carboxylic acid, 5-(4-chlorophenylthiomethyl)-, 4-isopropylbenzyl ester
Alternate Name(s) (4-isopropylphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate (4-propan-2-ylphenyl)methyl 5-[(4-chlorophenyl)sulfanylmethyl]furan-2-carboxylate 4-Isopropylbenzyl 5-([(4-chlorophenyl)sulfanyl]methyl)-2-furoate 5-[[(4-chlorophenyl)thio]methyl]-2-furancarboxylic acid (4-propan-2-ylphenyl)methyl ester 5-[[(4-chlorophenyl)thio]methyl]furan-2-carboxylic acid (4-isopropylbenzyl) ester
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Formula C22H21ClO3S
InChI InChI=1S/C22H21ClO3S/c1-15(2)17-5-3-16(4-6-17)13-25-22(24)21-12-9-19(26-21)14-27-20-10-7-18(23)8-11-20/h3-12,15H,13-14H2,1-2H3
InChIKey XCCKMXXRSMYHBZ-UHFFFAOYSA-N
Molecular Weight 400.920 g/mol
SMILES c1(oc(CSc2ccc(cc2)Cl)cc1)C(OCc1ccc(C(C)C)cc1)=O
SPLASH splash10-053r-3920000000-c4d964ed87a4bb3ef697
Source of Spectrum AD-0-2532-0
Wiley ID 1428467