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3-NITRO-p-TOLUENESULFONIC ACID

View entire compound with spectra: 2 NMR, and 1 FTIR

3-NITRO-p-TOLUENESULFONIC ACID
SpectraBase Compound ID 6R1nhoqvCAt
InChI InChI=1S/C7H7NO5S/c1-5-2-3-6(14(11,12)13)4-7(5)8(9)10/h2-4H,1H3,(H,11,12,13)
InChIKey GJYYWZTYFNSZRP-UHFFFAOYSA-N
Mol Weight 217.19 g/mol
Molecular Formula C7H7NO5S
Exact Mass 217.004493 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LQgxZDCjOGn
Name 2-Nitrotoluene-4-sulfonic acid
Source of Sample Bayer AG, Leverkusen, Germany
CAS Registry Number 97-06-3
Copyright Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H7NO5S
InChI InChI=1S/C7H7NO5S/c1-5-2-3-6(14(11,12)13)4-7(5)8(9)10/h2-4H,1H3,(H,11,12,13)
InChIKey GJYYWZTYFNSZRP-UHFFFAOYSA-N
Instrument Name Bruker IFS 85
Synonyms 4-Methyl-3-nitro-benzenesulfonic acid Benzenesulfonic acid, 4-methyl-3-nitro- p-Toluenesulfonic acid, 3-nitro-
Technique KBr-Pellet