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(2-cyanopyrrol-1-yl) 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

(2-cyanopyrrol-1-yl) 4-methylbenzenesulfonate
SpectraBase Compound ID 2Qnr1xZ913v
InChI InChI=1S/C12H10N2O3S/c1-10-4-6-12(7-5-10)18(15,16)17-14-8-2-3-11(14)9-13/h2-8H,1H3
InChIKey GRUBPUMRVFXFSO-UHFFFAOYSA-N
Mol Weight 262.28 g/mol
Molecular Formula C12H10N2O3S
Exact Mass 262.041213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3qbMzbYlIK
Name (2-cyanopyrrol-1-yl) 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N2O3S
InChI InChI=1S/C12H10N2O3S/c1-10-4-6-12(7-5-10)18(15,16)17-14-8-2-3-11(14)9-13/h2-8H,1H3
InChIKey GRUBPUMRVFXFSO-UHFFFAOYSA-N
Molecular Weight 262.283 g/mol
SMILES c1([n](OS(c2ccc(cc2)C)(=O)=O)ccc1)C#N
SPLASH splash10-052f-9500000000-f1c3f76dba5ec509410e
Source of Spectrum 1-98-1483-0
Synonyms 4-Methylbenzenesulfonic acid (2-cyano-1-pyrrolyl) ester 4-Methylbenzenesulfonic acid (2-cyanopyrrol-1-yl) ester
Wiley ID 1265408