| SpectraBase Spectrum ID |
GOt2pid7BxQ |
| Name |
Butylphosphonic acid, 1-adamantylmethyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.294982240 u |
| Formula |
C23H43O3P |
| InChI |
InChI=1S/C23H43O3P/c1-3-5-7-8-9-10-11-25-27(24,12-6-4-2)26-19-23-16-20-13-21(17-23)15-22(14-20)18-23/h20-22H,3-19H2,1-2H3/t20-,21+,22-,23-,27? |
| InChIKey |
JXVBHKMAIDTCSU-HARLDQHNSA-N |
| Molecular Weight |
398.568 g/mol |
| SMILES |
C(CCCOP(CCCC)(=O)OCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])CCCC |
