| SpectraBase Spectrum ID |
1Gzp01pjPpH |
| Name |
3,5-Dibromo-6-hydroxyspiro[4,5-dihydroisoxazole-5,1'-cyclohex-2'-en-4'-one]-3'-carboxylic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.884748389 u |
| Formula |
C10H9Br2NO5 |
| InChI |
InChI=1S/C10H9Br2NO5/c1-17-9(16)5-3-10(18-13-5)2-4(11)7(14)6(12)8(10)15/h2,6,8,15H,3H2,1H3/t6?,8-,10+/m0/s1 |
| InChIKey |
SECZDFHHKAEKHR-YVWIDPTOSA-N |
| Molecular Weight |
382.992 g/mol |
| SMILES |
[C@@]12(C=C(C(=O)C([C@@]2(O)[H])Br)Br)ON=C(C1)C(=O)OC |
![3,5-Dibromo-6-hydroxyspiro[4,5-dihydroisoxazole-5,1'-cyclohex-2'-en-4'-one]-3'-carboxylic acid methyl ester](/api/spectrum/1Gzp01pjPpH/structure.png?h=300&w=458 "3,5-Dibromo-6-hydroxyspiro[4,5-dihydroisoxazole-5,1'-cyclohex-2'-en-4'-one]-3'-carboxylic acid methyl ester")
