| SpectraBase Compound ID | FD33Mi9rnuP |
|---|---|
| InChI | InChI=1S/C15H16O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,9,11,13H,5H2,1-3H3/t9-,11?,13+/m1/s1 |
| InChIKey | FRBORWNVTCITAQ-XTLKWQJWSA-N |
| Mol Weight | 244.29 g/mol |
| Molecular Formula | C15H16O3 |
| Exact Mass | 244.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HBOAwxCEO5o |
|---|---|
| Name | Anhydrogrossmisin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H16O3 |
| InChI | InChI=1S/C15H16O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,9,11,13H,5H2,1-3H3/t9-,11?,13+/m1/s1 |
| InChIKey | FRBORWNVTCITAQ-XTLKWQJWSA-N |
| Molecular Weight | 244.290 g/mol |
| SMILES | C=12C(C(=O)C=C2C)=C(C[C@@]2(OC([C@@](C2C1)(C)[H])=O)[H])C |
| SPLASH | splash10-006y-0950000000-c6cf246dd17d7759d0a5 |
| Source of Spectrum | X2-44-727-2 |
| Wiley ID | 1600909 |