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1,3-Butanediol cyclic sulfate

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

1,3-Butanediol cyclic sulfate
SpectraBase Compound ID LiivX2InXyu
InChI InChI=1S/C4H8O4S/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3
InChIKey KLXMOOWASHTDLR-UHFFFAOYSA-N
Mol Weight 152.16 g/mol
Molecular Formula C4H8O4S
Exact Mass 152.01433 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BF1RCOQMBmk
Name 1,3-Butanediol cyclic sulfate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 387487
CAS Registry Number 4426-50-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H8O4S
InChI InChI=1S/C4H8O4S/c1-4-2-3-7-9(5,6)8-4/h4H,2-3H2,1H3
InChIKey KLXMOOWASHTDLR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 4-Methyl-1,3,2-dioxathiane 2,2-dioxide
Wiley ID SIAL_13CNMR_008438