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1-Heptanesulfonic acid, sodium salt hydrate

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1-Heptanesulfonic acid, sodium salt hydrate
SpectraBase Compound ID 8Vn4xcA0xeO
InChI InChI=1S/C7H16O3S.Na.O/c1-2-3-4-5-6-7-11(8,9)10;;/h2-7H2,1H3,(H,8,9,10);;/q;+1;/p-1
InChIKey ULTQDVJNYHIQSS-UHFFFAOYSA-M
Mol Weight 218.24276928 g/mol
Molecular Formula C7H15NaO4S
Exact Mass 218.058874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRKBuffcXQe
Name 1-HEPTANESULFONIC ACID, SODIUM SALT, HYDRATE
Source of Sample Eastman Organic Chemicals, Rochester, New York
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H15NaO3S H2O
InChI InChI=1S/C7H16O3S.Na.O/c1-2-3-4-5-6-7-11(8,9)10;;/h2-7H2,1H3,(H,8,9,10);;/q;+1;/p-1
InChIKey ULTQDVJNYHIQSS-UHFFFAOYSA-M
Molecular Weight 220.26
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms 1-HEPTANESULFONIC ACID, SODIUM SALT, HYDRATE