| SpectraBase Compound ID | 7vQTMXiP9bN |
|---|---|
| InChI | InChI=1S/C19H25Cl3O5/c1-10(17(25)26-9-19(20,21)22)13-5-6-18(4,27-12(3)23)15-8-16(24)11(2)14(15)7-13/h10,13,15H,5-9H2,1-4H3/t10?,13-,15?,18-/m1/s1 |
| InChIKey | SAXWYHDSPMUSJV-RTCKAWRNSA-N |
| Mol Weight | 439.76 g/mol |
| Molecular Formula | C19H25Cl3O5 |
| Exact Mass | 438.076757 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BDcIA8mNPmE |
|---|---|
| Name | 2',2',2'-Trichloroethyl ester of guaiane acid |
| Alternate Name(s) | 2-[(5R,8R)-8-acetyloxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8a-hexahydroazulen-5-yl]propanoic acid 2,2,2-trichloroethyl ester 2,2,2-trichloroethyl 2-[(5R,8R)-8-acetyloxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8a-hexahydroazulen-5-yl]propanoate 2,2,2-trichloroethyl 2-[(5R,8R)-8-acetoxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8a-hexahydroazulen-5-yl]propanoate 2,2,2-tris(chloranyl)ethyl 2-[(5R,8R)-8-acetyloxy-3,8-dimethyl-2-oxidanylidene-1,4,5,6,7,8a-hexahydroazulen-5-yl]propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H25Cl3O5 |
| InChI | InChI=1S/C19H25Cl3O5/c1-10(17(25)26-9-19(20,21)22)13-5-6-18(4,27-12(3)23)15-8-16(24)11(2)14(15)7-13/h10,13,15H,5-9H2,1-4H3/t10?,13-,15?,18-/m1/s1 |
| InChIKey | SAXWYHDSPMUSJV-RTCKAWRNSA-N |
| Molecular Weight | 439.763 g/mol |
| SMILES | C=12C([C@](OC(=O)C)(CC[C@](C2)(C(C(OCC(Cl)(Cl)Cl)=O)C)[H])C)CC(C1C)=O |
| SPLASH | splash10-003r-0009200000-c8c88729c3e4e99f2e5a |
| Source of Spectrum | SK-28-1412-1 |
| Wiley ID | 868310 |