| SpectraBase Spectrum ID |
4pbsXYcZdo |
| Name |
2-Bromo-4-oxa-tricyclo[4.2.1.0(3,7)]nonan-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H9BrO2 |
| InChI |
InChI=1S/C8H9BrO2/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7H,1-2H2/t3-,4+,5-,6-,7-/m0/s1 |
| InChIKey |
ZFCNOHNDCYYXIK-REQIZBSHSA-N |
| Instrument Name |
Agilent 6890N-5973N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.4.29 |
| Molecular Weight |
217.062 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(C[C@@]([C@]2(C3)[H])(C(O1)=O)[H])[H])(Br)[H])[H] |
| SPLASH |
splash10-00mo-9200000000-67033443051566355f85 |
| Sample Comments |
3:1 mixture of endo and exo isomers |
| Source of Spectrum |
BJO-4-SM8-8 |
| Wiley ID |
1873167 |
![2-Bromo-4-oxa-tricyclo[4.2.1.0(3,7)]nonan-5-one](/api/spectrum/4pbsXYcZdo/structure.png?h=300&w=458 "2-Bromo-4-oxa-tricyclo[4.2.1.0(3,7)]nonan-5-one")
