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3-Methyl-5-phenyl-1-adamantanecarboxylic acid
SpectraBase Compound ID JmGnOsVw0HO
InChI InChI=1S/C18H22O2/c1-16-7-13-8-17(10-16,14-5-3-2-4-6-14)12-18(9-13,11-16)15(19)20/h2-6,13H,7-12H2,1H3,(H,19,20)/t13-,16+,17+,18-/m0/s1
InChIKey LOOOKAIQHTUJFC-LIRZEXBASA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fDQru2J3m
Name 3-Methyl-5-phenyl-1-adamantanecarboxylic acid
CAS Registry Number 29835-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-16-7-13-8-17(10-16,14-5-3-2-4-6-14)12-18(9-13,11-16)15(19)20/h2-6,13H,7-12H2,1H3,(H,19,20)/t13-,16+,17+,18-/m0/s1
InChIKey LOOOKAIQHTUJFC-LIRZEXBASA-N
Molecular Weight 270.372 g/mol
SMILES OC([C@]12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)c1ccccc1)C)[H])=O
SPLASH splash10-0006-9400000000-f9ebe0a2b7934b8d4608
Synonyms 3-Methyl-5-phenyl-adamantane-1-carboxylic acid 5-Methyl-3-phenyl-1-adamantanecarboxylic acid
Wiley ID 1470520