| SpectraBase Spectrum ID |
InHv7MzpIB8 |
| Name |
2-(3-bromopropyl)-3a,4,7,7a-tetrahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione |
| Appearance |
Colourless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H12BrNO3 |
| InChI |
InChI=1S/C11H12BrNO3/c12-4-1-5-13-10(14)8-6-2-3-7(16-6)9(8)11(13)15/h2-3,6-9H,1,4-5H2/t6-,7+,8-,9-/m0/s1 |
| InChIKey |
AGTHSXGXTNUTTO-KZVJFYERSA-N |
| Instrument Name |
Finnigan MAT95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cbic.201900520 |
| Molecular Weight |
286.125 g/mol |
| Reported Formula |
C11H12N1O3(79)Br1 |
| SMILES |
C1=C[C@@]2([C@]3([C@]([C@]1(O2)[H])(C(N(C3=O)CCCBr)=O)[H])[H])[H] |
| SPLASH |
splash10-02t9-9520000000-9cb1efe60bdc6eaf2014 |
| Source of Spectrum |
CBC-21-SM21-12 |
| Thin-Layer Chromatography |
Rf = 0.12 (Hexane/ EtOAc, 4:1) |
| Wiley ID |
1839778 |
