| SpectraBase Compound ID | Dky3JaawIwm |
|---|---|
| InChI | InChI=1S/C13H19Br2NO4/c1-3-4-5-20-13(19-2)9(14)6-12(18,7-10(13)15)8-11(16)17/h6-7,18H,3-5,8H2,1-2H3,(H2,16,17)/t12-,13+ |
| InChIKey | IKUMLOOFWYUABH-BETUJISGSA-N |
| Mol Weight | 413.11 g/mol |
| Molecular Formula | C13H19Br2NO4 |
| Exact Mass | 410.968084 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E7Am7LBNxPy |
|---|---|
| Name | Aplysin-ketal A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19Br2NO4 |
| InChI | InChI=1S/C13H19Br2NO4/c1-3-4-5-20-13(19-2)9(14)6-12(18,7-10(13)15)8-11(16)17/h6-7,18H,3-5,8H2,1-2H3,(H2,16,17)/t12-,13+ |
| InChIKey | IKUMLOOFWYUABH-BETUJISGSA-N |
| Molecular Weight | 413.106 g/mol |
| SMILES | NC(C[C@]1(C=C([C@](C(=C1)Br)(OC)OCCCC)Br)O)=O |
| SPLASH | splash10-0006-0009000000-e813989d27239604417f |
| Source of Spectrum | X2-53-547-3 |
| Wiley ID | 1603547 |