| SpectraBase Spectrum ID |
J6LjCRsaIG3 |
| Name |
3,6-Methano-2H-cyclobut[A]inden-2-one, 1,1-dibromo-1,2A,2B,3,6,6A,7,7A-octahydro-, (2A.alpha.,2B.beta.,3.beta.,6.beta.,6A.beta.,7A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.925491005 u |
| Formula |
C12H12Br2O |
| InChI |
InChI=1S/C12H12Br2O/c13-12(14)8-4-7-5-1-2-6(3-5)9(7)10(8)11(12)15/h1-2,5-10H,3-4H2/t5-,6+,7-,8+,9+,10+/m0/s1 |
| InChIKey |
QDBDYDTXWRGLBN-HDBWYCHPSA-N |
| Molecular Weight |
332.035 g/mol |
| SMILES |
C1(C(=O)[C@@]2([C@]1(C[C@]1([C@]3(C=C[C@]([C@@]21[H])([H])C3)[H])[H])[H])[H])(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934045 |
![3,6-Methano-2H-cyclobut[a]inden-2-one, 1,1-dibromo-1,2a,2b,3,6,6a,7,7a-octahydro-, (2a.alpha.,2b.beta.,3.beta.,6.beta.,6a.beta.,7a.alpha.)-](/api/spectrum/J6LjCRsaIG3/structure.png?h=300&w=458 "3,6-Methano-2H-cyclobut[a]inden-2-one, 1,1-dibromo-1,2a,2b,3,6,6a,7,7a-octahydro-, (2a.alpha.,2b.beta.,3.beta.,6.beta.,6a.beta.,7a.alpha.)-")
