| SpectraBase Compound ID | 3dfR434kzpB |
|---|---|
| InChI | InChI=1S/C15H17ClO3/c1-7-9-4-5-15(3)6-10(16)12(17)8(2)11(15)13(9)19-14(7)18/h6-7,9,13H,4-5H2,1-3H3 |
| InChIKey | UXASVZPBDIQODI-UHFFFAOYSA-N |
| Mol Weight | 280.75 g/mol |
| Molecular Formula | C15H17ClO3 |
| Exact Mass | 280.086622 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2tjqowyUBkZ |
|---|---|
| Name | .alpha.-chlorosantonin |
| Alternate Name(s) | 7-Chloranyl-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione 7-Chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 7-Chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-quinone 7-Chloro-3,5a,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione 7-Chloro-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione |
| CAS Registry Number | 28136-94-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H17ClO3 |
| InChI | InChI=1S/C15H17ClO3/c1-7-9-4-5-15(3)6-10(16)12(17)8(2)11(15)13(9)19-14(7)18/h6-7,9,13H,4-5H2,1-3H3 |
| InChIKey | UXASVZPBDIQODI-UHFFFAOYSA-N |
| Molecular Weight | 280.751 g/mol |
| SMILES | CC12C(C3C(C(C)C(O3)=O)CC1)=C(C)C(=O)C(=C2)Cl |
| SPLASH | splash10-00m4-0390000000-66a14b1a0b91559f9b7d |
| Source of Spectrum | M-17-667-1 |
| Wiley ID | 1283734 |