| SpectraBase Compound ID | HBz5KpiojOm |
|---|---|
| InChI | InChI=1S/C22H31ClO3/c1-13-7-8-17-21(2,3)9-6-10-22(17,4)18(13)19(23)15-11-14(24)12-16(26-5)20(15)25/h11-13,17,24-25H,6-10H2,1-5H3/b19-18+/t13-,17-,22-/m0/s1 |
| InChIKey | KXXACPFCWLOPQC-YEQBPAHFSA-N |
| Mol Weight | 378.94 g/mol |
| Molecular Formula | C22H31ClO3 |
| Exact Mass | 378.196173 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BgnjFe58ipM |
|---|---|
| Name | (E)-chlorodeoxyspongiaquinol |
| Alternate Name(s) | 2-[(E)-[(2S,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene]-chloromethyl]-6-methoxybenzene-1,4-diol 2-[(E)-[(2S,4aS,8aS)-2,5,5,8a-tetramethyldecalin-1-ylidene]-chloro-methyl]-6-methoxy-benzene-1,4-diol 2-[(E)-[(2S,4aS,8aS)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-ylidene]-chloranyl-methyl]-6-methoxy-benzene-1,4-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H31ClO3 |
| InChI | InChI=1S/C22H31ClO3/c1-13-7-8-17-21(2,3)9-6-10-22(17,4)18(13)19(23)15-11-14(24)12-16(26-5)20(15)25/h11-13,17,24-25H,6-10H2,1-5H3/b19-18+/t13-,17-,22-/m0/s1 |
| InChIKey | KXXACPFCWLOPQC-YEQBPAHFSA-N |
| Molecular Weight | 378.940 g/mol |
| SMILES | Oc1cc(c(c(c1)OC)O)\C(=C/1[C@@]2([C@@](C(C)(C)CCC2)([H])CC[C@@]1(C)[H])C)Cl |
| SPLASH | splash10-002f-0049000000-a27c0f28049291d60dd3 |
| Source of Spectrum | JA-49-611-0 |
| Wiley ID | 1358861 |