For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[5-[4-(Methoxycarbonyl)benzoyl]pyrrol-2-yl]-1,3-dithiolane
SpectraBase Compound ID 73By8DgxdUQ
InChI InChI=1S/C16H15NO3S2/c1-20-15(19)11-4-2-10(3-5-11)14(18)12-6-7-13(17-12)16-21-8-9-22-16/h2-7,16-17H,8-9H2,1H3
InChIKey XOLWVGIAOHUWDL-UHFFFAOYSA-N
Mol Weight 333.42 g/mol
Molecular Formula C16H15NO3S2
Exact Mass 333.049336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AaXTtUcASYD
Name 2-[5-[4-(Methoxycarbonyl)benzoyl]pyrrol-2-yl]-1,3-dithiolane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO3S2
InChI InChI=1S/C16H15NO3S2/c1-20-15(19)11-4-2-10(3-5-11)14(18)12-6-7-13(17-12)16-21-8-9-22-16/h2-7,16-17H,8-9H2,1H3
InChIKey XOLWVGIAOHUWDL-UHFFFAOYSA-N
Molecular Weight 333.420 g/mol
SMILES [nH]1c(ccc1C(c1ccc(C(=O)OC)cc1)=O)C1SCCS1
SPLASH splash10-023u-0968000000-ef6c9b42d035f70537e3
Source of Spectrum J-58-7251-42
Synonyms Methyl 4-{[5-(1,3-dithiolan-2-yl)-1H-pyrrol-2-yl]carbonyl}benzoate
Wiley ID 1330125