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(S)-Ethyl 2-(2-methyl-1H-pyrrol-1-yl)-4-(methylthio)butanoate

View entire compound with spectra: 1 MS (GC)

(S)-Ethyl 2-(2-methyl-1H-pyrrol-1-yl)-4-(methylthio)butanoate
SpectraBase Compound ID EawoeMFg1Zh
InChI InChI=1S/C12H19NO2S/c1-4-15-12(14)11(7-9-16-3)13-8-5-6-10(13)2/h5-6,8,11H,4,7,9H2,1-3H3/t11-/m0/s1
InChIKey WAMKVEJQEKEBBL-NSHDSACASA-N
Mol Weight 241.35 g/mol
Molecular Formula C12H19NO2S
Exact Mass 241.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiWNxIdHnnS
Name (S)-Ethyl 2-(2-methyl-1H-pyrrol-1-yl)-4-(methylthio)butanoate
Alternate Name(s) Ethyl (2S)-2-(2-methyl-1H-pyrrol-1-yl)-4-(methylsulfanyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO2S
InChI InChI=1S/C12H19NO2S/c1-4-15-12(14)11(7-9-16-3)13-8-5-6-10(13)2/h5-6,8,11H,4,7,9H2,1-3H3/t11-/m0/s1
InChIKey WAMKVEJQEKEBBL-NSHDSACASA-N
Molecular Weight 241.349 g/mol
SMILES [C@]([n]1c(ccc1)C)(C(=O)OCC)(CCSC)[H]
SPLASH splash10-00rf-5900000000-2dd1a962091700a3dddf
Source of Spectrum KC-61-3023-3
Wiley ID 1628302