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Dicloxacillin sodium salt hydrate
SpectraBase Compound ID 1GQTA1KupFb
InChI InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKey SIGZQNJITOWQEF-VICXVTCVSA-M
Mol Weight 510.32376928 g/mol
Molecular Formula C19H18Cl2N3NaO6S
Exact Mass 509.019106 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID D4egN4aoq3u
Name Dicloxacillin sodium salt hydrate
Source of Sample Fluka Vetranal, Sigma-Aldrich Inc.
Catalog Number 46182
Lot Number 7190X
CAS Registry Number 13412-64-1
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18Cl2N3NaO6S
InChI InChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKey SIGZQNJITOWQEF-VICXVTCVSA-M
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd: YAG
Raman Laser Wavelength 1064
Sadtler IR Number DW0222
Source of Spectrum Forensic Spectral Research
Synonyms 6-{[(3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)carbonyl]amino}-3,3-dimethyl-7-oxo4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, monosodium salt, monohydrate, (2S-(2alpha,5alpha,6beta))-
Technique FT-Raman