| SpectraBase Spectrum ID |
3zI8xsoeV7J |
| Name |
[5-eta-C10H15(PME3)rh(tert.-butyl)(CNSIPH3)]-[B(3,5-C6H3(CF3)2)4] |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1520.307560583 u |
| Formula |
C68H61BF24NPRhSi |
| InChI |
InChI=1S/C32H12BF24.C19H15NSi.C10H15.C4H9.C3H9P.Rh/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-20-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-6-7(2)9(4)10(5)8(6)3;2*1-4(2)3;/h1-12H;2-16H;1-5H3;2*1-3H3;/q-1;+1;;;;/p+1 |
| InChIKey |
MXUVBQCXNBCGQS-UHFFFAOYSA-O |
| Molecular Weight |
1520.979 g/mol |
| Nominal Mass |
1520 u |
| SMILES |
[C](#[N+][Si](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[Rh+]1234(C5(C4(=C3(C2(=C15C)C)C)C)C)(C(C)(C)C)[PH](C)(C)C.C(F)(C=1C=C(C=C(C1)[B-](C1=CC(C(F)(F)F)=CC(=C1)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F |
![[5-eta-C10H15(PME3)rh(tert.-butyl)(CNSIPH3)]-[B(3,5-C6H3(CF3)2)4]](/api/spectrum/3zI8xsoeV7J/structure.png?h=300&w=458 "[5-eta-C10H15(PME3)rh(tert.-butyl)(CNSIPH3)]-[B(3,5-C6H3(CF3)2)4]")
