![3a-Methyl-7-[(1-phenyl-1H-tetraazol-5-yl)oxy]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-ol](/api/spectrum/LJU2H7GJ48N/structure.png?h=300&w=458 "3a-Methyl-7-[(1-phenyl-1H-tetraazol-5-yl)oxy]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-ol")
| SpectraBase Compound ID | 11SqZbBNjdO |
|---|---|
| InChI | InChI=1S/C21H22N4O2/c1-21-12-11-14-13-16(7-8-17(14)18(21)9-10-19(21)26)27-20-22-23-24-25(20)15-5-3-2-4-6-15/h2-8,13,18-19,26H,9-12H2,1H3 |
| InChIKey | GADNMBSLPDFNOK-UHFFFAOYSA-N |
| Mol Weight | 362.43 g/mol |
| Molecular Formula | C21H22N4O2 |
| Exact Mass | 362.174276 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LJU2H7GJ48N |
|---|---|
| Name | 3a-Methyl-7-[(1-phenyl-1H-tetraazol-5-yl)oxy]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-ol |
| CAS Registry Number | 71805-93-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H22N4O2 |
| InChI | InChI=1S/C21H22N4O2/c1-21-12-11-14-13-16(7-8-17(14)18(21)9-10-19(21)26)27-20-22-23-24-25(20)15-5-3-2-4-6-15/h2-8,13,18-19,26H,9-12H2,1H3 |
| InChIKey | GADNMBSLPDFNOK-UHFFFAOYSA-N |
| Molecular Weight | 362.433 g/mol |
| SMILES | OC1CCC2c3ccc(cc3CCC12C)Oc1nnn[n]1-c1ccccc1 |
| SPLASH | splash10-014i-0923000000-19f7ae20da904e7d2978 |
| Source of Spectrum | KC-1979-1324-0 |
| Synonyms | 3a-methyl-7-(1-phenyltetrazol-5-yl)oxy-1,2,3,4,5,9b-hexahydrobenz[e]inden-3-ol 3a-methyl-7-(1-phenyltetrazol-5-yl)oxy-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-ol 3a-methyl-7-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-ol 3a-methyl-7-[(1-phenyl-5-tetrazolyl)oxy]-1,2,3,4,5,9b-hexahydrocyclopenta[a]naphthalen-3-ol |
| Wiley ID | 1349688 |