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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 7i2Dv1QqPDB
Name 5-METHYL-3-PHENYL-1-ADAMANTANECARBOXYLIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 270.1614
SMILES OC(=O)[C@@]12C[C@@]3(c4ccccc4)C[C@@](C1)(C[C@](C)(C3)C2)[H]
SPLASH splash10-0006-9400000000-043e76c6d76efda7f7b6
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany