| SpectraBase Compound ID | GIRXLQhDrxE |
|---|---|
| InChI | InChI=1S/C17H20O3/c18-16(19)12-3-1-2-11(6-12)15-13-4-10-5-14(15)9-17(20,7-10)8-13/h1-3,6,10,13-15,20H,4-5,7-9H2,(H,18,19)/t10-,13-,14+,15-,17- |
| InChIKey | BJJPVMSIRSIIJM-KDXOFNRRSA-N |
| Mol Weight | 272.34 g/mol |
| Molecular Formula | C17H20O3 |
| Exact Mass | 272.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KIJq2OOwMoc |
|---|---|
| Name | 3-(5-hydroxy-2-adamantyl)benzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H20O3 |
| InChI | InChI=1S/C17H20O3/c18-16(19)12-3-1-2-11(6-12)15-13-4-10-5-14(15)9-17(20,7-10)8-13/h1-3,6,10,13-15,20H,4-5,7-9H2,(H,18,19)/t10-,13-,14+,15-,17- |
| InChIKey | BJJPVMSIRSIIJM-KDXOFNRRSA-N |
| Molecular Weight | 272.344 g/mol |
| SMILES | OC(c1cc([C@]2([C@@]3(C[C@]4(C[C@]2(C[C@](C4)(C3)O)[H])[H])[H])[H])ccc1)=O |
| SPLASH | splash10-00kb-9260000000-b8475bea72b4fcccdfce |
| Source of Spectrum | O1-35-671-4 |
| Wiley ID | 819553 |