| SpectraBase Compound ID | 2Tksef2QlmC |
|---|---|
| InChI | InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 |
| InChIKey | RMRJXGBAOAMLHD-IHFGGWKQSA-N |
| Mol Weight | 467.7 g/mol |
| Molecular Formula | C29H41NO4 |
| Exact Mass | 467.303559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9TY9qC90Gsu |
|---|---|
| Name | Buprenorphine |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula | C29H41NO4 |
| InChI | InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1 |
| InChIKey | RMRJXGBAOAMLHD-IHFGGWKQSA-N |
| SMILES | O[C@@]([C@@]1([C@]2([C@]3([C@@]45c6c(c(ccc6C[C@]([C@]5(C1)CC2)(N(CC1CC1)CC4)[H])O)O3)[H])OC)[H])(C(C)(C)C)C |
| SPLASH | splash10-004i-3349600000-e3cf0d67c7768af43166 |
| Source of Spectrum | Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |