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Acetic acid, 2-(4-pyridylthio)-, 4-nitrobenzyl ester
SpectraBase Compound ID EHP9N5b0Dr5
InChI InChI=1S/C14H12N2O4S/c17-14(10-21-13-5-7-15-8-6-13)20-9-11-1-3-12(4-2-11)16(18)19/h1-8H,9-10H2
InChIKey CYHZPSOHMGMIFH-UHFFFAOYSA-N
Mol Weight 304.32 g/mol
Molecular Formula C14H12N2O4S
Exact Mass 304.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2AQAcc5wkD5
Name Acetic acid, 2-(4-pyridylthio)-, 4-nitrobenzyl ester
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Formula C14H12N2O4S
InChI InChI=1S/C14H12N2O4S/c17-14(10-21-13-5-7-15-8-6-13)20-9-11-1-3-12(4-2-11)16(18)19/h1-8H,9-10H2
InChIKey CYHZPSOHMGMIFH-UHFFFAOYSA-N
Molecular Weight 304.320 g/mol
SMILES c1cc(SCC(OCc2ccc(N(=O)=O)cc2)=O)ccn1
SPLASH splash10-0fk9-4904000000-77c62b27f1bc384ab6d7
Synonyms (4-nitrophenyl)methyl 2-(4-pyridylsulfanyl)acetate (4-nitrophenyl)methyl 2-pyridin-4-ylsulfanylacetate (4-nitrophenyl)methyl 2-pyridin-4-ylsulfanylethanoate 2-(4-pyridylthio)acetic acid (4-nitrobenzyl) ester 2-(pyridin-4-ylthio)acetic acid (4-nitrophenyl)methyl ester 4-Nitrobenzyl (4-pyridinylsulfanyl)acetate
Wiley ID 1455721