![9-Oxabicyclo[3.3.1]nonan-2-one-3,3-D2, 6-hydroxy-, endo-](/api/spectrum/1wLLtFzJm8f/structure.png?h=300&w=458 "9-Oxabicyclo[3.3.1]nonan-2-one-3,3-D2, 6-hydroxy-, endo-")
| SpectraBase Compound ID | IhJXZJit5wj |
|---|---|
| InChI | InChI=1S/C30H34N6.Pd/c1-15-17(3)25-20(14-31)23-13-28(5,6)24(33-23)10-19-12-29(7,8)30(9,36-19)27(32)26-18(4)16(2)22(35-26)11-21(15)34-25;/h10-11,32H,12-13H2,1-9H3;/q-2;+4/b21-11-,23-20-,24-10-,32-27?; |
| InChIKey | RBNOXOPPIIJGMX-CBWYPMJBSA-N |
| Mol Weight | 585.1 g/mol |
| Molecular Formula | C30H34N6Pd |
| Exact Mass | 584.187975 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1wLLtFzJm8f |
|---|---|
| Name | 9-Oxabicyclo[3.3.1]nonan-2-one-3,3-D2, 6-hydroxy-, endo- |
| CAS Registry Number | 60378-19-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H34N6Pd |
| InChI | InChI=1S/C30H34N6.Pd/c1-15-17(3)25-20(14-31)23-13-28(5,6)24(33-23)10-19-12-29(7,8)30(9,36-19)27(32)26-18(4)16(2)22(35-26)11-21(15)34-25;/h10-11,32H,12-13H2,1-9H3;/q-2;+4/b21-11-,23-20-,24-10-,32-27?; |
| InChIKey | RBNOXOPPIIJGMX-CBWYPMJBSA-N |
| Molecular Weight | 585.065 g/mol |
| SMILES | N=C1c2c(c(C)c3C=C4[N+]5=C(C(=C6N7C(=CC8=[N+](C1(C)C(C8)(C)C)[Pd]57[n]23)C(C6)(C)C)C#N)C(=C4C)C)C |
| SPLASH | splash10-001r-0030290000-150843f0e7d023fcd587 |
| Synonyms | 24-Cyano-12-imino-4,5,9,10,13,14,14,19,19-nonamethyl-2,22,23,25-tetraaza-1-palladaoctacyclo[11.9.1.1(1,8).1(3,21).0(2,6).0(16,23).0(18,22).0(11,25)]pentacosa-2,4,6,8,10,16(23),17,21(24)-octaene-2,23-bis(ylium) 3,3-Dideuterio-endo-6-hydroxy-9-oxabicyclo(3.3.1)nonan-2-one 6-Hydroxy-9-oxabicyclo[3.3.1]nonan-2-one Palladium octamethyl nitrile porphine complex |
| Wiley ID | 1488172 |