| SpectraBase Compound ID | CmxHfv2RrhL |
|---|---|
| InChI | InChI=1S/C17H14O4/c18-13(7-6-11-4-2-1-3-5-11)17-12-10-16(20)21-15(12)9-8-14(17)19/h1-9,12,15,18H,10H2/b7-6+,17-13-/t12-,15-/m0/s1 |
| InChIKey | PTLQMLWEJRHXDU-VHIARPGFSA-N |
| Mol Weight | 282.29 g/mol |
| Molecular Formula | C17H14O4 |
| Exact Mass | 282.089209 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ja4tgrXw84w |
|---|---|
| Name | Cryptocaryone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H14O4 |
| InChI | InChI=1S/C17H14O4/c18-13(7-6-11-4-2-1-3-5-11)17-12-10-16(20)21-15(12)9-8-14(17)19/h1-9,12,15,18H,10H2/b7-6+,17-13-/t12-,15-/m0/s1 |
| InChIKey | PTLQMLWEJRHXDU-VHIARPGFSA-N |
| Molecular Weight | 282.295 g/mol |
| SMILES | O\C(=C\1[C@@]2([C@](OC(C2)=O)([H])C=CC1=O)[H])\C=C\c1ccccc1 |
| SPLASH | splash10-0f89-3970000000-2c8088bc0b5607a329e7 |
| Source of Spectrum | KC-57-6194-1 |
| Synonyms | (3aR,4Z,7aS)-4-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-3a,7a-dihydro-3H-benzofuran-2,5-dione (3aR,4Z,7aS)-4-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-3a,7a-dihydro-3H-benzofuran-2,5-quinone (3aR,4Z,7aS)-4-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-3a,7a-dihydro-3H-1-benzofuran-2,5-dione (3aR,4Z,7aS)-4-[(E)-1-oxidanyl-3-phenyl-prop-2-enylidene]-3a,7a-dihydro-3H-1-benzofuran-2,5-dione |
| Wiley ID | 1625117 |