SpectraBase Spectrum ID |
3TUlqfwhfjW |
Name |
1-Adamantanecarboxylic acid, 4-chlorophenyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.107357550 u |
Formula |
C17H19ClO2 |
InChI |
InChI=1S/C17H19ClO2/c18-14-1-3-15(4-2-14)20-16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17- |
InChIKey |
BRFGISNTQUMEQO-FBBPANFNSA-N |
Molecular Weight |
290.790 g/mol |
SMILES |
C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(=O)OC1=CC=C(C=C1)Cl)[H])[H] |