| 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
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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 |
| Copyright | Copyright © 2015-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| 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([[email protected]]1([[email protected]@](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 |