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1-Adamantanecarboxylic acid, 4-chlorophenyl ester
SpectraBase Compound ID 76vIeUm1bFs
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
Mol Weight 290.79 g/mol
Molecular Formula C17H19ClO2
Exact Mass 290.107358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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]