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1H-Pyrrole-1-acetic acid, 2-(1,3-dithiolan-2-yl)-, ethyl ester
SpectraBase Compound ID 6xfHkPZe9l
InChI InChI=1S/C11H15NO2S2/c1-2-14-10(13)8-12-5-3-4-9(12)11-15-6-7-16-11/h3-5,11H,2,6-8H2,1H3
InChIKey JEFZYSHYTKHHHI-UHFFFAOYSA-N
Mol Weight 257.37 g/mol
Molecular Formula C11H15NO2S2
Exact Mass 257.054421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiAZ74PYSAS
Name 1H-Pyrrole-1-acetic acid, 2-(1,3-dithiolan-2-yl)-, ethyl ester
Alternate Name(s) 1-(ethoxycarbonyl)methyl-2-(1,3-dithiolan-2-yl)pyrrole Ethyl 2-(1',3'-dithiolane)-pyrrole-1-acetate Ethyl[2-(1,3-dithiolan-2-yl)-1H-pyrrol-1-yl]acetate
CAS Registry Number 70582-60-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15NO2S2
InChI InChI=1S/C11H15NO2S2/c1-2-14-10(13)8-12-5-3-4-9(12)11-15-6-7-16-11/h3-5,11H,2,6-8H2,1H3
InChIKey JEFZYSHYTKHHHI-UHFFFAOYSA-N
Molecular Weight 257.366 g/mol
SMILES c1([n](ccc1)CC(=O)OCC)C1SCCS1
SPLASH splash10-0aba-1980000000-e2e1d15baee9fc278331
Source of Spectrum SB-33-129-0
Wiley ID 1260564