SpectraBase Compound ID | GjvbZKz7tYe |
---|---|
InChI | InChI=1S/C19H32O2/c1-3-4-5-6-7-14(2)21-18(20)19-11-15-8-16(12-19)10-17(9-15)13-19/h14-17H,3-13H2,1-2H3/t14?,15-,16+,17-,19- |
InChIKey | QHMFSQYXYPCVCV-ATADIKNHSA-N |
Mol Weight | 292.5 g/mol |
Molecular Formula | C19H32O2 |
Exact Mass | 292.24023 g/mol |
SpectraBase Spectrum ID | DTf0olKpiop |
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Name | 1-Adamantanecarboxylic acid, 2-octyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 292.240230268 u |
Formula | C19H32O2 |
InChI | InChI=1S/C19H32O2/c1-3-4-5-6-7-14(2)21-18(20)19-11-15-8-16(12-19)10-17(9-15)13-19/h14-17H,3-13H2,1-2H3/t14?,15-,16+,17-,19- |
InChIKey | QHMFSQYXYPCVCV-ATADIKNHSA-N |
SMILES | C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(OC(C)CCCCCC)=O)[H])[H] |