John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3LzlgB4nx8U SpectraBase Spectrum ID=3mAP8Zy3U3a

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Aztreonam
SpectraBase Compound ID 3LzlgB4nx8U
InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8+/t5-,7-/m0/s1
InChIKey WZPBZJONDBGPKJ-IYZXUIDESA-N
Mol Weight 435.43 g/mol
Molecular Formula C13H17N5O8S2
Exact Mass 435.051856 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3mAP8Zy3U3a
Name Aztreonam
Source of Sample Cayman Chemical Company
Catalog Number 19784
Lot Number 0485781-1
CAS Registry Number 78110-38-0
Cell Type NMR tube
Compound Type Pure
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Formula C13H17N5O8S2
IUPAC Name 2-[[(Z)-[1-(2-Amino-4-thiazolyl)-2-[[(2S,3S)-2-methyl-4-oxo-1-sulfo-3-azetidinyl]amino]-2-oxoethylidene]amino]oxy]-2-methyl-propanoic acid
InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8+/t5-,7-/m0/s1
InChIKey WZPBZJONDBGPKJ-IYZXUIDESA-N
Raman Corrections Referenced to internal white light source; 180 degree backscatter
Raman Laser Power 646 mW
Raman Laser Source Nd:YAG
SMILES N([C@]1([C@@](N(S(=O)(=O)O)C1=O)(C)[H])[H])C(\C(c1nc(sc1)N)=N\OC(C(O)=O)(C)C)=O
Scans Performed 3968
Source of Spectrum Forensic Spectral Research
SpectraBase Batch ID B8SSB5bYItU
Synonyms SQ 26,776
Technique FT-Raman