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diamantane-3-carboxylic acid methyl ester
SpectraBase Compound ID H5zkUHOyg2S
InChI InChI=1S/C16H22O2/c1-18-16(17)14-8-5-10-9-2-7-3-12(10)15(14)13(4-7)11(9)6-8/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11-,12-,13+,14-,15+/m1/s1
InChIKey VYZNMXKUERQEFT-KSKSHXNCSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mYkYbx8nWZ
Name diamantane-3-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-18-16(17)14-8-5-10-9-2-7-3-12(10)15(14)13(4-7)11(9)6-8/h7-15H,2-6H2,1H3/t7-,8-,9+,10+,11-,12-,13+,14-,15+/m1/s1
InChIKey VYZNMXKUERQEFT-KSKSHXNCSA-N
Literature Reference DOI 10.1002/rcm.4977
Molecular Weight 246.350 g/mol
SMILES [C@]12([C@]3([C@@]4([C@@]5(C[C@@](C[C@]2([C@@]5(C[C@]([C@]1(C(=O)OC)[H])(C4)[H])[H])[H])(C3)[H])[H])[H])[H])[H]
SPLASH splash10-000i-3900000000-8faf1a912888f425c378
Source of Spectrum RCM-25-1200-II
Synonyms Methyl (2r,4R,4aS,6s,8R,8ar,10s,11S)-decahydro-2,8,4,6-(epibutane[1,2,3,4]tetrayl)naphthalene-1-carboxylate
Wiley ID 1814816