| SpectraBase Spectrum ID |
22bX72X1okr |
| Name |
(Tert.-butyl-o)((15)N)mo[[miu-o]ti(ntar)3]2 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
1406.946074200 u |
| Formula |
C76H81[2H]36MoN6[15N]O3Ti2 |
| InChI |
InChI=1S/6C12H18N.C4H9O.Mo.N.2O.2Ti/c6*1-9-6-10(2)8-11(7-9)13-12(3,4)5;1-4(2,3)5;;;;;;/h6*6-8H,1-5H3;1-3H3;;;;;;/q7*-1;+1;;;;2*+3/i6*3D3,4D3;;;1+1;;;; |
| InChIKey |
IWTQCHMNKYAERP-RVMPSXMLSA-N |
| Molecular Weight |
1405.716 g/mol |
| Nominal Mass |
1406 u |
| SMILES |
C1(N([Ti](N(C2=CC(=CC(=C2)C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C)(N(C2=CC(=CC(=C2)C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C)O[Mo](#[15N])(OC(C)(C)C)O[Ti](N(C2=CC(=CC(=C2)C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C)(N(C2=CC(=CC(=C2)C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C)N(C2=CC(=CC(=C2)C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C)C(C)(C([2H])([2H])[2H])C([2H])([2H])[2H])=CC(=CC(=C1)C)C |
![(Tert.-butyl-o)((15)N)mo[[miu-o]ti(ntar)3]2](/api/spectrum/22bX72X1okr/structure.png?h=300&w=458 "(Tert.-butyl-o)((15)N)mo[[miu-o]ti(ntar)3]2")
