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4-Formylbenzene-1,3-disulfonic acid disodium salt hydrate

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

4-Formylbenzene-1,3-disulfonic acid disodium salt hydrate
SpectraBase Compound ID 6BeExJjEDF1
InChI InChI=1S/C7H6O7S2.2Na.H2O/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;;/h1-4H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2
InChIKey YKJQVLWZGODFIH-UHFFFAOYSA-L
Mol Weight 328.21653856 g/mol
Molecular Formula C7H6Na2O8S2
Exact Mass 327.929948 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1V6HqI2ncL0
Name 4-Formylbenzene-1,3-disulfonic acid disodium salt hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 230901
CAS Registry Number 207291-88-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6Na2O8S2
InChI InChI=1S/C7H6O7S2.2Na.H2O/c8-4-5-1-2-6(15(9,10)11)3-7(5)16(12,13)14;;;/h1-4H,(H,9,10,11)(H,12,13,14);;;1H2/q;2*+1;/p-2
InChIKey YKJQVLWZGODFIH-UHFFFAOYSA-L
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzaldehyde 2,4-disulfonic acid disodium salt Sodium 4-formylbenzene-1,3-disulfonate
Wiley ID SIAL_13CNMR_003564