| SpectraBase Spectrum ID |
6nKag9FmRBj |
| Name |
2-Thiophenecarboxylic acid, 1-adamantylmethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.118401056 u |
| Formula |
C16H20O2S |
| InChI |
InChI=1S/C16H20O2S/c17-15(14-2-1-3-19-14)18-10-16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,11-13H,4-10H2/t11-,12+,13-,16- |
| InChIKey |
YIMXNASNVWPIGV-WTHWONHRSA-N |
| Molecular Weight |
276.394 g/mol |
| SMILES |
[C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])COC(=O)C=1SC=CC1)[H] |
