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1-Adamantanecarboxylic acid, 3-methyl-4-chlorophenyl ester
SpectraBase Compound ID 49NJ0PqCNED
InChI InChI=1S/C18H21ClO2/c1-11-4-15(2-3-16(11)19)21-17(20)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3/t12-,13+,14-,18-
InChIKey TZTHQBFRMJWZGF-WXZYKRPKSA-N
Mol Weight 304.82 g/mol
Molecular Formula C18H21ClO2
Exact Mass 304.123008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANwmTaOvB5Y
Name 1-Adamantanecarboxylic acid, 3-methyl-4-chlorophenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClO2
InChI InChI=1S/C18H21ClO2/c1-11-4-15(2-3-16(11)19)21-17(20)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,12-14H,5-10H2,1H3/t12-,13+,14-,18-
InChIKey TZTHQBFRMJWZGF-WXZYKRPKSA-N
Molecular Weight 304.817 g/mol
SMILES C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(Oc1cc(c(cc1)Cl)C)=O
SPLASH splash10-000i-3900000000-97ead2ad05f4f9830f50
Source of Spectrum TIPS-2023-110-0
Wiley ID 1884818