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Adamantane-1,3-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 4ntYaPeyrFX
InChI 1S/C14H20O4/c1-17-11(15)13-4-9-3-10(5-13)7-14(6-9,8-13)12(16)18-2/h9-10H,3-8H2,1-2H3
InChIKey YXMDGBXGJKYMQL-UHFFFAOYSA-N
Mol Weight 252.31 g/mol
Molecular Formula C14H20O4
Exact Mass 252.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmBccuts4Ac
Name Adamantane-1,3-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4
InChI InChI=1S/C14H20O4/c1-17-11(15)13-4-9-3-10(5-13)7-14(6-9,8-13)12(16)18-2/h9-10H,3-8H2,1-2H3/t9-,10+,13+,14-
InChIKey YXMDGBXGJKYMQL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.6729
Molecular Weight 252.310 g/mol
SMILES C([C@]12C[C@@]3(C[C@@](C[C@](C2)(C3)[H])(C1)[H])C(=O)OC)(OC)=O
SPLASH splash10-000x-3900000000-2cd89f8875ccf72517fd
Source of Spectrum RCM-27-2651-Fig2(b)
Synonyms Dimethyl (1s,3s,5r,7r)-adamantane-1,3-dicarboxylate
Wiley ID 1820729