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Ethyl 3-(4-methoxyphenyl)-4-formyl-5-(ethylsulfanyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 1YWIUr3LPb6
InChI InChI=1S/C17H19NO4S/c1-4-22-17(20)15-14(11-6-8-12(21-3)9-7-11)13(10-19)16(18-15)23-5-2/h6-10,18H,4-5H2,1-3H3
InChIKey DQCNYLWJWZQPKT-UHFFFAOYSA-N
Mol Weight 333.4 g/mol
Molecular Formula C17H19NO4S
Exact Mass 333.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jgOn4JwtCi
Name Ethyl 3-(4-methoxyphenyl)-4-formyl-5-(ethylsulfanyl)-1H-pyrrole-2-carboxylate
Alternate Name(s) Ethyl 5-(ethylsulfanyl)-4-formyl-3-(4-methoxyphenyl)-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4S
InChI InChI=1S/C17H19NO4S/c1-4-22-17(20)15-14(11-6-8-12(21-3)9-7-11)13(10-19)16(18-15)23-5-2/h6-10,18H,4-5H2,1-3H3
InChIKey DQCNYLWJWZQPKT-UHFFFAOYSA-N
Molecular Weight 333.402 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)-c1ccc(cc1)OC)C=O)SCC
SPLASH splash10-0ue9-0697000000-e5b73e25f92f9bab41bc
Source of Spectrum F-62-1714-5
Wiley ID 1632255