![2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydroindazol-2-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester](/api/spectrum/BC3aRykB0Ab/structure.png?h=300&w=458 "2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydroindazol-2-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester")
| SpectraBase Compound ID | 3BmC1SpdBsv |
|---|---|
| InChI | InChI=1S/C22H27N3O3S/c1-4-27-16-12-10-15(11-13-16)19-17-8-6-7-9-18(17)24-25(19)22-23-14(3)20(29-22)21(26)28-5-2/h10-13,17,19H,4-9H2,1-3H3 |
| InChIKey | VCVCOYQFEAHTTM-UHFFFAOYSA-N |
| Mol Weight | 413.54 g/mol |
| Molecular Formula | C22H27N3O3S |
| Exact Mass | 413.177313 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BC3aRykB0Ab |
|---|---|
| Name | 2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydroindazol-2-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester |
| Alternate Name(s) | 4-Methyl-2-(3-p-phenetyl-3,3a,4,5,6,7-hexahydroindazol-2-yl)thiazole-5-carboxylic acid ethyl ester Ethyl 2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate Ethyl 2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydroindazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylate Ethyl 2-[3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydroindazol-2-yl]-4-methyl-thiazole-5-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H27N3O3S |
| InChI | InChI=1S/C22H27N3O3S/c1-4-27-16-12-10-15(11-13-16)19-17-8-6-7-9-18(17)24-25(19)22-23-14(3)20(29-22)21(26)28-5-2/h10-13,17,19H,4-9H2,1-3H3 |
| InChIKey | VCVCOYQFEAHTTM-UHFFFAOYSA-N |
| Molecular Weight | 413.536 g/mol |
| SMILES | C1CCCC2C(c3ccc(cc3)OCC)N(c3sc(c(n3)C)C(OCC)=O)N=C12 |
| SPLASH | splash10-03dj-3922200000-7a6741947e0e5104cb1c |
| Wiley ID | 1463793 |