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

*Links on SpectraBase are not permalinks.

MS-222

View entire compound with spectra: 1 NMR, 3 FTIR, and 1 Raman

MS-222
SpectraBase Compound ID 7DPMu4ZQPr
InChI InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)
InChIKey FQZJYWMRQDKBQN-UHFFFAOYSA-N
Mol Weight 261.29 g/mol
Molecular Formula C10H15NO5S
Exact Mass 261.067094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID BYdjycbTpdI
Name m-AMINOBENZOIC ACID, ETHYL ESTER, METHANESULFONIC(1:1)
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO2 CH4O3S
InChI InChI=1S/C9H11NO2.CH4O3S/c1-2-12-9(11)7-4-3-5-8(10)6-7;1-5(2,3)4/h3-6H,2,10H2,1H3;1H3,(H,2,3,4)
InChIKey FQZJYWMRQDKBQN-UHFFFAOYSA-N
Melting Point 144-146C
Molecular Weight 261.30
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms BENZOIC ACID, M-AMINO-, ETHYL ESTER, METHANESULFONATE