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Methyl 3-(4-methylphenyl)-4-formyl-5-(ethylsulfanyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID FVbroGwZMhc
InChI InChI=1S/C16H17NO3S/c1-4-21-15-12(9-18)13(14(17-15)16(19)20-3)11-7-5-10(2)6-8-11/h5-9,17H,4H2,1-3H3
InChIKey IVSURWNZBHXERM-UHFFFAOYSA-N
Mol Weight 303.38 g/mol
Molecular Formula C16H17NO3S
Exact Mass 303.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Mb9biIFUKd
Name Methyl 3-(4-methylphenyl)-4-formyl-5-(ethylsulfanyl)-1H-pyrrole-2-carboxylate
Alternate Name(s) Methyl 5-(ethylsulfanyl)-4-formyl-3-(4-methylphenyl)-1H-pyrrole-2-carboxylate
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Formula C16H17NO3S
InChI InChI=1S/C16H17NO3S/c1-4-21-15-12(9-18)13(14(17-15)16(19)20-3)11-7-5-10(2)6-8-11/h5-9,17H,4H2,1-3H3
InChIKey IVSURWNZBHXERM-UHFFFAOYSA-N
Molecular Weight 303.376 g/mol
SMILES [nH]1c(c(c(c1C(=O)OC)-c1ccc(cc1)C)C=O)SCC
SPLASH splash10-0f79-0394000000-5aaca49d69387873265f
Source of Spectrum F-62-1714-5
Wiley ID 1632257