| SpectraBase Compound ID | 9cle6o4q6Z7 |
|---|---|
| InChI | InChI=1S/C18H20O4/c19-16(20)12-3-1-2-11(6-12)15-13-4-10-5-14(15)9-18(7-10,8-13)17(21)22/h1-3,6,10,13-15H,4-5,7-9H2,(H,19,20)(H,21,22)/t10-,13-,14+,15+,18- |
| InChIKey | ABXNTKRGSRMCEC-GUNXSNIWSA-N |
| Mol Weight | 300.35 g/mol |
| Molecular Formula | C18H20O4 |
| Exact Mass | 300.136159 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Szk6SIBCCn |
|---|---|
| Name | 4-(3-carboxyphenyl)-1-adamantanecarboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H20O4 |
| InChI | InChI=1S/C18H20O4/c19-16(20)12-3-1-2-11(6-12)15-13-4-10-5-14(15)9-18(7-10,8-13)17(21)22/h1-3,6,10,13-15H,4-5,7-9H2,(H,19,20)(H,21,22)/t10-,13-,14+,15+,18- |
| InChIKey | ABXNTKRGSRMCEC-GUNXSNIWSA-N |
| Molecular Weight | 300.354 g/mol |
| SMILES | OC([C@]12C[C@@]3([C@](c4cc(C(=O)O)ccc4)([C@](C1)(C[C@](C2)(C3)[H])[H])[H])[H])=O |
| SPLASH | splash10-004l-9222000000-06dc5cc07c6f496032ff |
| Source of Spectrum | O1-35-671-2 |
| Synonyms | 4-(3-carboxyphenyl)adamantane-1-carboxylic acid |
| Wiley ID | 819554 |