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1H-Pyrrole-1-acetic acid, 2-(1,3-dithiolan-2-yl)-5-(hydroxymethyl)-, ethyl ester
SpectraBase Compound ID GAtPOOPDozb
InChI InChI=1S/C12H17NO3S2/c1-2-16-11(15)7-13-9(8-14)3-4-10(13)12-17-5-6-18-12/h3-4,12,14H,2,5-8H2,1H3
InChIKey MARRVIDTPFCDRD-UHFFFAOYSA-N
Mol Weight 287.39 g/mol
Molecular Formula C12H17NO3S2
Exact Mass 287.064986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1Cfrb3deon
Name 1H-Pyrrole-1-acetic acid, 2-(1,3-dithiolan-2-yl)-5-(hydroxymethyl)-, ethyl ester
Alternate Name(s) 1-(ethoxycarbonylmethyl)-2-(1,3-dithiolan-2-yl)-5-hydroxymethylpyrrole Ethyl 5-(1',3'-dithiolane)-2-methanolpyrrole-1-acetate Ethyl[2-(1,3-dithiolan-2-yl)-5-(hydroxymethyl)-1H-pyrrol-1-yl]acetate
CAS Registry Number 70582-62-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3S2
InChI InChI=1S/C12H17NO3S2/c1-2-16-11(15)7-13-9(8-14)3-4-10(13)12-17-5-6-18-12/h3-4,12,14H,2,5-8H2,1H3
InChIKey MARRVIDTPFCDRD-UHFFFAOYSA-N
Molecular Weight 287.392 g/mol
SMILES OCc1[n](c(cc1)C1SCCS1)CC(=O)OCC
SPLASH splash10-0670-3970000000-0126443af3719fb9f355
Source of Spectrum SB-33-130-0
Wiley ID 1290622