![(S)-3,3-Diphenyl-1-methyltetrahydro-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole](/api/spectrum/Cf8sLwoB9sF/structure.png?h=300&w=458 "(S)-3,3-Diphenyl-1-methyltetrahydro-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole")
| SpectraBase Compound ID | GzeslqD2WnS |
|---|---|
| InChI | InChI=1S/C48H80O3Si2/c1-33(16-14-18-40(49)32-48-29-36-24-37(30-48)26-38(25-36)31-48)41-21-22-42-39(17-15-23-47(41,42)9)20-19-35-27-43(50-52(10,11)45(3,4)5)34(2)44(28-35)51-53(12,13)46(6,7)8/h19-20,33,36-38,40-44,49H,2,15-17,21-32H2,1,3-13H3/b39-20+/t33-,36-,37+,38-,40-,41-,42+,43-,44-,47-,48-/m1/s1 |
| InChIKey | MZGWCDBQIGDKCJ-LGCOABGYSA-N |
| Mol Weight | 761.3 g/mol |
| Molecular Formula | C48H80O3Si2 |
| Exact Mass | 760.5646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cf8sLwoB9sF |
|---|---|
| Name | (S)-3,3-Diphenyl-1-methyltetrahydro-1H,3H-pyrrolo[1,2-c][1,3,2]oxazaborole |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H80O3Si2 |
| InChI | InChI=1S/C48H80O3Si2/c1-33(16-14-18-40(49)32-48-29-36-24-37(30-48)26-38(25-36)31-48)41-21-22-42-39(17-15-23-47(41,42)9)20-19-35-27-43(50-52(10,11)45(3,4)5)34(2)44(28-35)51-53(12,13)46(6,7)8/h19-20,33,36-38,40-44,49H,2,15-17,21-32H2,1,3-13H3/b39-20+/t33-,36-,37+,38-,40-,41-,42+,43-,44-,47-,48-/m1/s1 |
| InChIKey | MZGWCDBQIGDKCJ-LGCOABGYSA-N |
| Instrument Name | Shimazu GCMS QP-2010 PLUS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/jm401989c |
| Molecular Weight | 761.335 g/mol |
| SMILES | O[C@@](CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(C#CC[C@]([C@]1(CC[C@@]2([C@@]1(CCC\C2=C\C=C1C[C@](C([C@@](C1)(O[Si](C(C)(C)C)(C)C)[H])=C)(O[Si](C(C)(C)C)(C)C)[H])C)[H])[H])(C)[H])[H] |
| SPLASH | splash10-0079-6911101000-354a5dc3811e472f6c98 |
| Source of Spectrum | AF-57-4084-9b |
| Wiley ID | 1854684 |