![10,10-Dimethyl-11-(tert-butyldiphenylsulfinyl)bicyclo[6.3.0]undec-2-en-6-one](/api/spectrum/3McDlCcJfAn/structure.png?h=300&w=458 "10,10-Dimethyl-11-(tert-butyldiphenylsulfinyl)bicyclo[6.3.0]undec-2-en-6-one")
| SpectraBase Compound ID | 9djNuCrbRhD |
|---|---|
| InChI | InChI=1S/C29H38O2S/c1-28(2,3)32(31,24-15-8-6-9-16-24,25-17-10-7-11-18-25)27-26-19-13-12-14-23(30)20-22(26)21-29(27,4)5/h6-11,13,15-19,22,26-27H,12,14,20-21H2,1-5H3/b19-13-/t22-,26-,27+/m0/s1 |
| InChIKey | IBJKFQQXKUFNHB-CBLCCBKDSA-N |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C29H38O2S |
| Exact Mass | 450.259252 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3McDlCcJfAn |
|---|---|
| Name | 10,10-Dimethyl-11-(tert-butyldiphenylsulfinyl)bicyclo[6.3.0]undec-2-en-6-one |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O2S |
| InChI | InChI=1S/C29H38O2S/c1-28(2,3)32(31,24-15-8-6-9-16-24,25-17-10-7-11-18-25)27-26-19-13-12-14-23(30)20-22(26)21-29(27,4)5/h6-11,13,15-19,22,26-27H,12,14,20-21H2,1-5H3/b19-13-/t22-,26-,27+/m0/s1 |
| InChIKey | IBJKFQQXKUFNHB-CBLCCBKDSA-N |
| Molecular Weight | 450.681 g/mol |
| SMILES | [C@@]1(S(C(C)(C)C)(=O)(c2ccccc2)c2ccccc2)(C(C[C@]2([C@@]1(\C=C/CCC(C2)=O)[H])[H])(C)C)[H] |
| SPLASH | splash10-0002-0902000000-1464f1bc9d430a27ee76 |
| Source of Spectrum | AT-39-8366-5 |
| Wiley ID | 854375 |