| SpectraBase Spectrum ID |
JcIjIO5Cpfp |
| Name |
2H-Pentaleno[1,6-bc]furan-2,3(2aH)-dione, 4-bromohexahydro-, (2a.alpha.,4.alpha.,4a.alpha.,6a.alpha.,6b.alpha.)-(.+-.)- |
| Alternate Name(s) |
(2aR,4R,4aS,6aR,6bS)-4-bromohexahydro-2H-pentaleno[1,6-bc]furan-2,3(2aH)-dione
2.beta.-bromo-3-oxobicyclo[3.3.0]octane-4.alpha.,6.alpha.-carbolactone |
| CAS Registry Number |
127268-78-4 |
| Comments |
Removed - expert review: solvent contamination (chloroform)); A corrected record has been addded having SpectrumID: 1718191 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H9BrO3 |
| InChI |
InChI=1S/C9H9BrO3/c10-7-3-1-2-4-5(3)6(8(7)11)9(12)13-4/h3-7H,1-2H2/t3-,4+,5-,6+,7+/m0/s1 |
| InChIKey |
CDJGPEZNVQTUFL-PJEQPVAWSA-N |
| Molecular Weight |
245.072 g/mol |
| SMILES |
[C@@]12(C(O[C@]3([C@@]2([C@@](CC3)([H])[C@](C1=O)(Br)[H])[H])[H])=O)[H] |
| SPLASH |
splash10-0017-9550000000-faf3b78baa4374ab0eac |
| Source of Spectrum |
F-45-5663-28 |
| Wiley ID |
1246462 |
![2H-Pentaleno[1,6-bc]furan-2,3(2aH)-dione, 4-bromohexahydro-, (2a.alpha.,4.alpha.,4a.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-](/api/spectrum/JcIjIO5Cpfp/structure.png?h=300&w=458 "2H-Pentaleno[1,6-bc]furan-2,3(2aH)-dione, 4-bromohexahydro-, (2a.alpha.,4.alpha.,4a.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-")
