| SpectraBase Compound ID | 3wh8rhAl4TF |
|---|---|
| InChI | InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1 |
| InChIKey | KDLRVYVGXIQJDK-AWPVFWJPSA-N |
| Mol Weight | 425.0 g/mol |
| Molecular Formula | C18H33ClN2O5S |
| Exact Mass | 424.179871 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8zvnceNhWO3 |
|---|---|
| Name | Clindamycin in kbr-basic extract of clindamycin HCl |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 424.179871040 u |
| Formula | C18H33ClN2O5S |
| InChI | InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1 |
| InChIKey | KDLRVYVGXIQJDK-AWPVFWJPSA-N |
| Molecular Weight | 424.984 g/mol |
| SMILES | O[C@@]1([C@]([C@]([C@](O[C@@]1(SC)[H])([C@](NC(=O)[C@@]1(C[C@](CN1C)(CCC)[H])[H])([C@](C)(Cl)[H])[H])[H])(O)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.936185 |