| SpectraBase Compound ID | INSxLh2MocB |
|---|---|
| InChI | InChI=1S/C22H27ClN2OS2/c1-2-19(22-9-13-5-14(10-22)7-15(6-13)11-22)25-20(26)12-27-21-24-17-8-16(23)3-4-18(17)28-21/h3-4,8,13-15,19H,2,5-7,9-12H2,1H3,(H,25,26)/t13-,14+,15-,19?,22- |
| InChIKey | RZZJCSGEBIEFRK-UHFFFAOYSA-N |
| Mol Weight | 435.04 g/mol |
| Molecular Formula | C22H27ClN2OS2 |
| Exact Mass | 434.125334 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LRYtyPWYmEt |
|---|---|
| Name | N-(1-adamantan-1-yl-propyl)-2-(5-chloro-benzothiazol-2-ylsulfanyl)-acetamide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27ClN2OS2 |
| InChI | InChI=1S/C22H27ClN2OS2/c1-2-19(22-9-13-5-14(10-22)7-15(6-13)11-22)25-20(26)12-27-21-24-17-8-16(23)3-4-18(17)28-21/h3-4,8,13-15,19H,2,5-7,9-12H2,1H3,(H,25,26)/t13-,14+,15-,19?,22- |
| InChIKey | RZZJCSGEBIEFRK-UHFFFAOYSA-N |
| Molecular Weight | 435.044 g/mol |
| SMILES | N(C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CC)C(=O)CSc1nc2cc(Cl)ccc2s1 |
| SPLASH | splash10-0006-9480000000-49608d72c2313fac644b |
| Synonyms | N-[1-(1-adamantyl)propyl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide |
| Wiley ID | 1442543 |