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1H-Pyrrole-1-acetic acid, 2-(1,3-dithiolan-2-yl)-5-formyl-, ethyl ester
SpectraBase Compound ID IILgJMmWoPk
InChI InChI=1S/C12H15NO3S2/c1-2-16-11(15)7-13-9(8-14)3-4-10(13)12-17-5-6-18-12/h3-4,8,12H,2,5-7H2,1H3
InChIKey UEKWVDOUPNYVCF-UHFFFAOYSA-N
Mol Weight 285.38 g/mol
Molecular Formula C12H15NO3S2
Exact Mass 285.049336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjTvKBH5GWc
Name 1H-Pyrrole-1-acetic acid, 2-(1,3-dithiolan-2-yl)-5-formyl-, ethyl ester
Alternate Name(s) 1-(ethoxycarbonylmethyl)-2-(1,3-dithiolan-2-yl)-5-formylpyrrole Ethyl 2-formyl-5(1',3'-dithiolane)pyrrole-1-acetate Ethyl[2-(1,3-dithiolan-2-yl)-5-formyl-1H-pyrrol-1-yl]acetate
CAS Registry Number 70582-61-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3S2
InChI InChI=1S/C12H15NO3S2/c1-2-16-11(15)7-13-9(8-14)3-4-10(13)12-17-5-6-18-12/h3-4,8,12H,2,5-7H2,1H3
InChIKey UEKWVDOUPNYVCF-UHFFFAOYSA-N
Molecular Weight 285.376 g/mol
SMILES c1([n](c(cc1)C=O)CC(=O)OCC)C1SCCS1
SPLASH splash10-0a4i-0090000000-4ef294a18a35b77dc215
Source of Spectrum SB-33-128-0
Wiley ID 1288732