| SpectraBase Compound ID | GRcoBnO88Fl |
|---|---|
| InChI | InChI=1S/C9H12O4/c1-8-4-6-9(13-8,2-3-11-8)5-7(10)12-6/h6H,2-5H2,1H3/t6-,8+,9-/m1/s1 |
| InChIKey | QIUBALCNECIHCV-BWVDBABLSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C9H12O4 |
| Exact Mass | 184.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ChqhMTJdXLv |
|---|---|
| Name | Buergerinin G |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O4 |
| InChI | InChI=1S/C9H12O4/c1-8-4-6-9(13-8,2-3-11-8)5-7(10)12-6/h6H,2-5H2,1H3/t6-,8+,9-/m1/s1 |
| InChIKey | QIUBALCNECIHCV-BWVDBABLSA-N |
| Molecular Weight | 184.191 g/mol |
| SMILES | [C@]123O[C@@](OCC3)(C)C[C@]1(OC(C2)=O)[H] |
| SPLASH | splash10-001i-9200000000-d3e32b36a4c2153e050f |
| Source of Spectrum | AT-41-1071-2 |
| Wiley ID | 854733 |