| SpectraBase Compound ID | EXpVMw37z6f |
|---|---|
| InChI | InChI=1S/C13H17NO3.2C4H9.Sn/c1-9(2)8-10-12(13(16)17)11(15)6-4-3-5-7-14-10;2*1-3-4-2;/h3-7,9-10,15H,8H2,1-2H3,(H,16,17);2*1,3-4H2,2H3;/q;;;+2/p-2/b5-3-,6-4-,12-11-,14-7-;;;/t10-;;;/m0.../s1 |
| InChIKey | DGHPHMZIAXGHTQ-BBWRDTRPSA-L |
| Mol Weight | 466.2 g/mol |
| Molecular Formula | C21H33NO3Sn |
| Exact Mass | 467.148246 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2HogRXiFjE |
|---|---|
| Name | (5S)-2,2-Di-n-Butyl-6-aza-1,3-dioxa-5-isobutyl-2-stannabenzocyclononen-4-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H33NO3Sn |
| InChI | InChI=1S/C13H17NO3.2C4H9.Sn/c1-9(2)8-10-12(13(16)17)11(15)6-4-3-5-7-14-10;2*1-3-4-2;/h3-7,9-10,15H,8H2,1-2H3,(H,16,17);2*1,3-4H2,2H3;/q;;;+2/p-2/b5-3-,6-4-,12-11-,14-7-;;;/t10-;;;/m0.../s1 |
| InChIKey | DGHPHMZIAXGHTQ-BBWRDTRPSA-L |
| Molecular Weight | 466.210 g/mol |
| SMILES | C1=2C(O[Sn](OC2\C=C/C=C\C=N/[C@]1(CC(C)C)[H])(CCCC)CCCC)=O |
| SPLASH | splash10-0730-0019300000-4b7ca366c7461882c6ea |
| Source of Spectrum | QF-9-2302-5 |
| Wiley ID | 1558406 |