| SpectraBase Compound ID | 4w3GIVAVp38 |
|---|---|
| InChI | InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13-,16-/m1/s1 |
| InChIKey | JTWOMNBEOCYFNV-BRXULGCHSA-N |
| Mol Weight | 461.49 g/mol |
| Molecular Formula | C20H23N5O6S |
| Exact Mass | 461.136905 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7QiBPhIdzA6 |
|---|---|
| Name | Azlocillin in kbr-ethyl acetate extract of sodium salt |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 461.136904649 u |
| Formula | C20H23N5O6S |
| InChI | InChI=1S/C20H23N5O6S/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29)/t11-,12-,13-,16-/m1/s1 |
| InChIKey | JTWOMNBEOCYFNV-BRXULGCHSA-N |
| Molecular Weight | 461.493 g/mol |
| SMILES | N(C(=O)N1C(NCC1)=O)[C@@](C(N[C@@]1(C(N2[C@](C(=O)O)(C(S[C@]12[H])(C)C)[H])=O)[H])=O)(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Raman) | 0.954216 |