| SpectraBase Compound ID | A0X31nLG6nY |
|---|---|
| InChI | InChI=1S/C20H28O2/c1-14(2)17-8-7-15(3)5-4-6-16-11-18(21-13-16)9-10-19-20(12-17)22-19/h5,11,13,17,19-20H,1,4,6-10,12H2,2-3H3/b15-5+/t17-,19+,20+/m1/s1 |
| InChIKey | PSMWGUHQGGHVRT-UAJUDQHZSA-N |
| Mol Weight | 300.44 g/mol |
| Molecular Formula | C20H28O2 |
| Exact Mass | 300.20893 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5iK9xZyED8m |
|---|---|
| Name | Isocrematofuran |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28O2 |
| InChI | InChI=1S/C20H28O2/c1-14(2)17-8-7-15(3)5-4-6-16-11-18(21-13-16)9-10-19-20(12-17)22-19/h5,11,13,17,19-20H,1,4,6-10,12H2,2-3H3/b15-5+/t17-,19+,20+/m1/s1 |
| InChIKey | PSMWGUHQGGHVRT-UAJUDQHZSA-N |
| Molecular Weight | 300.442 g/mol |
| SMILES | [C@]12(O[C@]1(CCc1cc(CC\C=C\(CC[C@](C2)(C(=C)C)[H])C)co1)[H])[H] |
| SPLASH | splash10-0006-9801000000-6507d84ee1449fbdacae |
| Source of Spectrum | F-56-2041-2 |
| Wiley ID | 856216 |