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1-Adamantanecarboxylic acid , 4-benzyloxyphenyl ester
SpectraBase Compound ID CTwbQzaV3eb
InChI InChI=1S/C24H26O3/c25-23(24-13-18-10-19(14-24)12-20(11-18)15-24)27-22-8-6-21(7-9-22)26-16-17-4-2-1-3-5-17/h1-9,18-20H,10-16H2/t18-,19+,20-,24-
InChIKey WUJQQYJSAUMYHW-BZNJPFPYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C24H26O3
Exact Mass 362.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gp2FfeC6wc
Name 1-Adamantanecarboxylic acid , 4-benzyloxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.188194694 u
Formula C24H26O3
InChI InChI=1S/C24H26O3/c25-23(24-13-18-10-19(14-24)12-20(11-18)15-24)27-22-8-6-21(7-9-22)26-16-17-4-2-1-3-5-17/h1-9,18-20H,10-16H2/t18-,19+,20-,24-
InChIKey WUJQQYJSAUMYHW-BZNJPFPYSA-N
Molecular Weight 362.469 g/mol
SMILES [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C(=O)OC1=CC=C(C=C1)OCC1=CC=CC=C1)C3)[H])[H])[H]