| SpectraBase Compound ID | 5ZHHKv9sEpB |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-8-5-10(16)12(18)14(4)11(17)6-9-7-15(8,14)19-13(9,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,14-,15+/m1/s1 |
| InChIKey | DNKWNWHMKFXSSE-MAZRLOOJSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3d0dPU1rA9E |
|---|---|
| Name | Isocelorbicol |
| Alternate Name(s) | (1S,2R,4S,5R,6R,7S,9R)-2,6,10,10-Tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodecane-4,5,7-triol (1S,2R,4S,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0(1,6)]dodecane-4,5,7-triol |
| CAS Registry Number | 59812-47-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-8-5-10(16)12(18)14(4)11(17)6-9-7-15(8,14)19-13(9,2)3/h8-12,16-18H,5-7H2,1-4H3/t8-,9-,10+,11+,12+,14-,15+/m1/s1 |
| InChIKey | DNKWNWHMKFXSSE-MAZRLOOJSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | O[C@]1(C[C@]2(C(O[C@@]3([C@]1([C@]([C@](C[C@]3(C)[H])(O)[H])(O)[H])C)C2)(C)C)[H])[H] |
| SPLASH | splash10-01ba-9730000000-0ac02def51589e577ef0 |
| Source of Spectrum | J-41-3268-0 |
| Wiley ID | 1274207 |