![(2S)-N-[3'-(2"-Methyl-1".2"-dicarba-closo-dodecaborane(12)-1"-yl)propionyl]borane-10,2-sultam](/api/spectrum/BdfB8wLnE0e/structure.png?h=300&w=458 "(2S)-N-[3'-(2\"-Methyl-1\".2\"-dicarba-closo-dodecaborane(12)-1\"-yl)propionyl]borane-10,2-sultam")
| SpectraBase Compound ID | 5ZG5rCTY2ZQ |
|---|---|
| InChI | InChI=1S/C16H33B10NO3S/c1-13(2)10-4-6-14(13)9-31(29,30)27(11(14)8-10)12(28)5-7-16-22-17-15(3)18(17,22)20(15)21(15)19(15,17)23(16,17,22)25(16,19,21)26(16,20,21)24(16,18,20)22/h10-11,17-26H,4-9H2,1-3H3/t10-,11-,14-/m1/s1 |
| InChIKey | CBBQMSFNVSGZQM-JTNHKYCSSA-N |
| Mol Weight | 428 g/mol |
| Molecular Formula | C16H33B10NO3S |
| Exact Mass | 429.311167 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BdfB8wLnE0e |
|---|---|
| Name | (2S)-N-[3'-(2"-Methyl-1".2"-dicarba-closo-dodecaborane(12)-1"-yl)propionyl]borane-10,2-sultam |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H33B10NO3S |
| InChI | InChI=1S/C16H33B10NO3S/c1-13(2)10-4-6-14(13)9-31(29,30)27(11(14)8-10)12(28)5-7-16-22-17-15(3)18(17,22)20(15)21(15)19(15,17)23(16,17,22)25(16,19,21)26(16,20,21)24(16,18,20)22/h10-11,17-26H,4-9H2,1-3H3/t10-,11-,14-/m1/s1 |
| InChIKey | CBBQMSFNVSGZQM-JTNHKYCSSA-N |
| Molecular Weight | 427.604 g/mol |
| SMILES | [C]1234([BH]567[BH]228[BH]559[C]%10%11%12([BH]%13%14%15[BH]37([BH]1%151[BH]483[BH]%11%141[BH]29%103)[BH]65%12%13)C)CCC(N1S(C[C@]23[C@]1(C[C@@](CC3)(C2(C)C)[H])[H])(=O)=O)=O |
| SPLASH | splash10-001i-0920000000-ae3a4ca83d97c993282b |
| Source of Spectrum | F-52-9213-9 |
| Synonyms | (2S)-N-[3'-(2''-Methyl-1''.2''-dicarba-closo-dodecaborane(12)-1''-yl)propionyl]borane-10,2-sultam |
| Wiley ID | 797532 |