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

*Links on SpectraBase are not permalinks.
1,4-Benzenediol, 2-methyl-5-nitro-, 1-methanesulfonate
SpectraBase Compound ID Hc6JtNvuMMN
InChI InChI=1S/C8H9NO6S/c1-5-3-7(10)6(9(11)12)4-8(5)15-16(2,13)14/h3-4,10H,1-2H3
InChIKey DXRRECKJJKVAGJ-UHFFFAOYSA-N
Mol Weight 247.22 g/mol
Molecular Formula C8H9NO6S
Exact Mass 247.015058 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 C5bMsatjp0e
Name 1,4-Benzenediol, 2-methyl-5-nitro-, 1-methanesulfonate
Alternate Name(s) 4-Hydroxy-2-methyl-5-nitrophenyl methanesulfonate Methanesulfonic acid (4-hydroxy-2-methyl-5-nitrophenyl) ester (4-hydroxy-2-methyl-5-nitrophenyl) methanesulfonate (4-hydroxy-2-methyl-5-nitro-phenyl) methanesulfonate (2-methyl-5-nitro-4-oxidanyl-phenyl) methanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO6S
InChI InChI=1S/C8H9NO6S/c1-5-3-7(10)6(9(11)12)4-8(5)15-16(2,13)14/h3-4,10H,1-2H3
InChIKey DXRRECKJJKVAGJ-UHFFFAOYSA-N
Molecular Weight 247.221 g/mol
SMILES Oc1cc(C)c(cc1[N+]([O-])=O)OS(C)(=O)=O
SPLASH splash10-014i-8910000000-c6cde2ee844c057aa6ad
Source of Spectrum JX-2015-1-528
Wiley ID 1721341