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Calcium sulfate dihydrate
SpectraBase Compound ID IZ121HlDNe7
InChI InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
InChIKey PASHVRUKOFIRIK-UHFFFAOYSA-L
Mol Weight 172.164 g/mol
Molecular Formula CaH4O6S
Exact Mass 171.93545 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8uWnrSfiXXS
Name Calcium sulfate dihydrate
Apodization Function Blackman-Harris 4-term
Copyright Copyright © 2023-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 171.935449917 u
Formula CaH4O6S
InChI InChI=1S/Ca.H2O4S.2H2O/c;1-5(2,3)4;;/h;(H2,1,2,3,4);2*1H2/q+2;;;/p-2
InChIKey PASHVRUKOFIRIK-UHFFFAOYSA-L
Instrument Name Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Literature Reference Be̅rziņš, K., Sales, R. E., Barnsley, J. E., Walker, G., Fraser-Miller, S. J., & Gordon, K. C. (2020). Reference data to the low-wavenumber Raman spectral database of pharamceutical excipients [Data set]. In Vibrational spectroscopy (1.1, p. 103021). Zenodo.
Literature Reference DOI 10.5281/zenodo.3614035
Resolution 4 cm-1
SMILES O.O.[Ca+2].[O-]S([O-])(=O)=O
Scans Performed 128
Source of Spectrum Zenodo
X-Axis Maximum 4001.81
X-Axis Minimum 202.533