| SpectraBase Spectrum ID |
LV4OBBNVtAX |
| Name |
trans-3,4-dibromo-9-phenyl-7-oxa-8-aza-cis-bicyclo[4.3.0]non-8-ene |
| Alternate Name(s) |
(3aR,5S,6R,7aS)-5,6-dibromo-3-phenyl-3a,4,5,6,7,7a-hexahydro-1,2-benzisoxazole
trans-3,4-dibrom-9-phenyl-7-oxa-8-aza-cis-bicyclo[4.3.0]non-8-ene |
| CAS Registry Number |
100854-10-2 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13Br2NO |
| InChI |
InChI=1S/C13H13Br2NO/c14-10-6-9-12(7-11(10)15)17-16-13(9)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10-,11+,12-/m0/s1 |
| InChIKey |
PWSGNXLKWNTWHW-YFKTTZPYSA-N |
| Molecular Weight |
359.061 g/mol |
| SMILES |
C1(=NO[C@]2(C[C@]([C@](C[C@]12[H])(Br)[H])(Br)[H])[H])c1ccccc1 |
| SPLASH |
splash10-0a6r-4009000000-0434813639da71a3393f |
| Source of Spectrum |
K-118-4222-32 |
| Wiley ID |
1346306 |
![trans-3,4-dibromo-9-phenyl-7-oxa-8-aza-cis-bicyclo[4.3.0]non-8-ene](/api/spectrum/LV4OBBNVtAX/structure.png?h=300&w=458 "trans-3,4-dibromo-9-phenyl-7-oxa-8-aza-cis-bicyclo[4.3.0]non-8-ene")
