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diamantane-1-carboxylic acid methyl ester
SpectraBase Compound ID F5C7hqNFGOz
InChI InChI=1S/C16H22O2/c1-18-15(17)16-7-9-3-11-10-2-8(5-13(11)16)6-14(16)12(10)4-9/h8-14H,2-7H2,1H3/t8-,9-,10+,11+,12-,13-,14+,16-
InChIKey HJECDQVQRBVYJO-NSZYKIOVSA-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 3ESzaGsMDZv
Name diamantane-1-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-18-15(17)16-7-9-3-11-10-2-8(5-13(11)16)6-14(16)12(10)4-9/h8-14H,2-7H2,1H3/t8-,9-,10+,11+,12-,13-,14+,16-
InChIKey HJECDQVQRBVYJO-NSZYKIOVSA-N
Literature Reference DOI 10.1002/rcm.4977
Molecular Weight 246.350 g/mol
SMILES C(OC)([C@]12[C@@]3(C[C@@]4(C[C@@]5([C@@]3(C[C@@](C[C@]5([C@@]2(C4)[H])[H])(C1)[H])[H])[H])[H])[H])=O
SPLASH splash10-000i-2900000000-dd5670360a56a9a31599
Source of Spectrum RCM-25-1200-I
Synonyms Methyl (2r,4s,4aR,6s,8s,8aS,10S,11R)-octahydro-2,8,4,6-(epibutane[1,2,3,4]tetrayl)naphthalene-4(1H)-carboxylate
Wiley ID 1814818