| SpectraBase Compound ID | FajFS5KHk9Y |
|---|---|
| InChI | InChI=1S/C16H27BrO/c1-14(2)9-13(18-4)16-8-6-12(17)15(3,10-16)7-5-11(14)16/h11-13H,5-10H2,1-4H3/t11-,12+,13-,15+,16-/m0/s1 |
| InChIKey | RXDBCJZWKXZSLU-ABNPOPBRSA-N |
| Mol Weight | 315.3 g/mol |
| Molecular Formula | C16H27BrO |
| Exact Mass | 314.124528 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ALuqiw0VoxJ |
|---|---|
| Name | 9.alpha.-Bromo-2.beta.-methoxyclovane |
| Alternate Name(s) | (1S,2S,5S,8R,9R)-9-bromo-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.0(1,5)]dodecane (1S,2S,5S,8R,9R)-9-bromo-4,4,8-trimethyltricyclo[6.3.1.0(1,5)]dodec-2-yl methyl ether (3S,3aS,6R,7R,9aS)-6-bromanyl-3-methoxy-1,1,7-trimethyl-3,4,5,6,8,9,9a,10-octahydro-2H-tricyclo[6.3.1.0^{1,5}]dodecane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H27BrO |
| InChI | InChI=1S/C16H27BrO/c1-14(2)9-13(18-4)16-8-6-12(17)15(3,10-16)7-5-11(14)16/h11-13H,5-10H2,1-4H3/t11-,12+,13-,15+,16-/m0/s1 |
| InChIKey | RXDBCJZWKXZSLU-ABNPOPBRSA-N |
| Molecular Weight | 315.295 g/mol |
| SMILES | [C@]123[C@](C(C)(C)C[C@@]3(OC)[H])(CC[C@@](C1)(C)[C@@](CC2)(Br)[H])[H] |
| SPLASH | splash10-0002-9110000000-1e176a9bb350e1ad6bc8 |
| Source of Spectrum | F-54-1623-4 |
| Wiley ID | 805913 |