| SpectraBase Compound ID | 4FJyhUNHnFx |
|---|---|
| InChI | InChI=1S/C20H22BrN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25)/i1D3,6D,7D,8D,9D |
| InChIKey | CNOFBGYRMCBVLO-DMONGCNRSA-N |
| Mol Weight | 407.36 g/mol |
| Molecular Formula | C20H15D7BrN3O |
| Exact Mass | 406.138563 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 38yGyfSP1Ok |
|---|---|
| Name | Brorphine-d7 |
| Catalog Number | 31566 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H15D7BrN3O |
| InChI | InChI=1S/C20H22BrN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25)/i1D3,6D,7D,8D,9D |
| InChIKey | CNOFBGYRMCBVLO-DMONGCNRSA-N |
| Molecular Weight | 407.363 g/mol |
| SMILES | N1C(N(c2ccccc12)C1CCN(C(c2c(c(c(Br)c([D])c2[D])[D])[D])C([D])([D])[D])CC1)=O |
| SPLASH | splash10-001i-8940000000-ed1721d7dad62fff2af6 |
| Source of Spectrum | CAY-2023-81-0 |
| Wiley ID | 1888047 |