| SpectraBase Spectrum ID |
535XXtICtyz |
| Name |
12-Bromopentacyclo[5.5.0.0(2,6).0(3,10).0(5,9)]dodecan-11-one |
| Comments |
Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820798 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13BrO |
| InChI |
InChI=1S/C12H13BrO/c13-11-10-5-2-4-3-1-6(8(4)12(11)14)9(10)7(3)5/h3-11H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10+,11?/m0/s1 |
| InChIKey |
AZXDYAWTAMNQPP-WFSCVGMNSA-N |
| Molecular Weight |
253.139 g/mol |
| SMILES |
[C@@]12(C(C(Br)[C@]3([C@]4([C@@]2(C[C@@]2([C@]4([C@]3(C[C@]12[H])[H])[H])[H])[H])[H])[H])=O)[H] |
| SPLASH |
splash10-004i-9000000000-c5ef6761a3aab2fe5d87 |
| Source of Spectrum |
F-54-5111-6 |
| Wiley ID |
806674 |
![12-Bromopentacyclo[5.5.0.0(2,6).0(3,10).0(5,9)]dodecan-11-one](/api/spectrum/535XXtICtyz/structure.png?h=300&w=458 "12-Bromopentacyclo[5.5.0.0(2,6).0(3,10).0(5,9)]dodecan-11-one")
