| SpectraBase Spectrum ID |
3WAzW7uymdg |
| Name |
Bicyclo[3.2.0]hept-3-en-6-one, 2-bromo-, (1.alpha.,2.alpha.,5.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
185.968027844 u |
| Formula |
C7H7BrO |
| InChI |
InChI=1S/C7H7BrO/c8-6-2-1-4-5(6)3-7(4)9/h1-2,4-6H,3H2/t4-,5-,6-/m1/s1 |
| InChIKey |
FXSGMGBVTYWOLD-HSUXUTPPSA-N |
| Molecular Weight |
187.036 g/mol |
| SMILES |
[C@]12([C@@]([C@](Br)(C=C2)[H])([H])CC1=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.988131 |
![Bicyclo[3.2.0]hept-3-en-6-one, 2-bromo-, (1.alpha.,2.alpha.,5.alpha.)-](/api/spectrum/3WAzW7uymdg/structure.png?h=300&w=458 "Bicyclo[3.2.0]hept-3-en-6-one, 2-bromo-, (1.alpha.,2.alpha.,5.alpha.)-")
