| SpectraBase Compound ID | 8V1QpWtkvOX |
|---|---|
| InChI | InChI=1S/C11H17O2.BrH.Hg/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11;;/h5,8H,4,6-7H2,1-3H3;1H;/q;;+1/p-1/t8-,11-;;/m1../s1 |
| InChIKey | SSVBLLGCDQNYED-OVYIFZAHSA-M |
| Mol Weight | 461.75 g/mol |
| Molecular Formula | C11H17BrHgO2 |
| Exact Mass | 462.011837 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K2v8gEoJyp7 |
|---|---|
| Name | (3a.alpha.,5.beta.,7a.beta.)-(.+-.)-Bromo(octahydro-4,4,7a-trimethyl-2-oxo-5-benzofuranyl)mercury |
| Alternate Name(s) | [(3aR,5R,7aR)-4,4,7a-trimethyl-2-oxooctahydro-1-benzofuran-5-yl](bromo)mercury [(3aR,7aR)-4,4,7a-trimethyl-2-oxo-3a,5,6,7-tetrahydro-3H-benzofuran-5-yl]-bromomercury [(3aR,7aR)-4,4,7a-trimethyl-2-oxo-3a,5,6,7-tetrahydro-3H-1-benzofuran-5-yl]-bromomercury [(3aR,7aR)-4,4,7a-trimethyl-2-oxo-3a,5,6,7-tetrahydro-3H-benzofuran-5-yl]-bromo-mercury [(3aR,7aR)-4,4,7a-trimethyl-2-oxidanylidene-3a,5,6,7-tetrahydro-3H-1-benzofuran-5-yl]-bromanyl-mercury |
| CAS Registry Number | 71041-56-0 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H17BrHgO2 |
| InChI | InChI=1S/C11H17O2.BrH.Hg/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11;;/h5,8H,4,6-7H2,1-3H3;1H;/q;;+1/p-1/t8-,11-;;/m1../s1 |
| InChIKey | SSVBLLGCDQNYED-OVYIFZAHSA-M |
| Molecular Weight | 461.751 g/mol |
| SMILES | [C@]12([C@@](C(C)(C)[C@@](CC2)([Hg]Br)[H])(CC(O1)=O)[H])C |
| SPLASH | splash10-001i-0900100000-1a1ae6de61a1769ab7eb |
| Source of Spectrum | J-44-3464-0 |
| Wiley ID | 1390871 |