| SpectraBase Compound ID | 1OH2Y09cokC |
|---|---|
| InChI | InChI=1S/C20H29N2O3.3C4H9.Sn/c1-7-16(14(2)3)21-18(23)17(13-15-11-9-8-10-12-15)22-19(24)25-20(4,5)6;3*1-3-4-2;/h8-12,14,16-17H,1,13H2,2-6H3,(H,21,23)(H,22,24);3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1 |
| InChIKey | SZGRSRICLCOIBE-PNNYBRIFSA-N |
| Mol Weight | 635.5 g/mol |
| Molecular Formula | C32H56N2O3Sn |
| Exact Mass | 636.331296 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3uwSsnqU2nX |
|---|---|
| Name | {(S)-1-[(E)(S)-1-Isopropyl-3-tributylstannylallylcarbomoyl)-2-phenylethyl}carbamic acid T-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 636.331295668 u |
| Formula | C32H56N2O3Sn |
| InChI | InChI=1S/C20H29N2O3.3C4H9.Sn/c1-7-16(14(2)3)21-18(23)17(13-15-11-9-8-10-12-15)22-19(24)25-20(4,5)6;3*1-3-4-2;/h8-12,14,16-17H,1,13H2,2-6H3,(H,21,23)(H,22,24);3*1,3-4H2,2H3;/t16-,17+;;;;/m1..../s1 |
| InChIKey | SZGRSRICLCOIBE-PNNYBRIFSA-N |
| Molecular Weight | 635.522 g/mol |
| SMILES | C(N[C@](C([Sn](CCCC)(CCCC)CCCC)=C)(C(C)C)[H])([C@@](NC(OC(C)(C)C)=O)(CC=1C=CC=CC1)[H])=O |