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1,3-Adamantanedicarboxylic acid, 4-hydroxy-, dimethyl ester
SpectraBase Compound ID AZQdBEPvJdr
InChI InChI=1S/C14H20O5/c1-18-11(16)13-4-8-3-9(6-13)10(15)14(5-8,7-13)12(17)19-2/h8-10,15H,3-7H2,1-2H3/t8?,9?,10-,13?,14+/m0/s1
InChIKey XJJNFNWGGXCBDY-LWWZYHOHSA-N
Mol Weight 268.31 g/mol
Molecular Formula C14H20O5
Exact Mass 268.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRURYY5fQCa
Name 1,3-Adamantanedicarboxylic acid, 4-hydroxy-, dimethyl ester
Alternate Name(s) Dimethyl 4-hydroxy-1,3-adamantanedicarboxylate 4-Hydroxyadamantane-1,3-dicarboxylic acid dimethyl ester Dimethyl 4-hydroxyadamantane-1,3-dicarboxylate Dimethyl 4-oxidanyladamantane-1,3-dicarboxylate
CAS Registry Number 19930-86-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O5
InChI InChI=1S/C14H20O5/c1-18-11(16)13-4-8-3-9(6-13)10(15)14(5-8,7-13)12(17)19-2/h8-10,15H,3-7H2,1-2H3/t8?,9?,10-,13?,14+/m0/s1
InChIKey XJJNFNWGGXCBDY-LWWZYHOHSA-N
Molecular Weight 268.309 g/mol
SMILES O[C@@]1([C@]2(C(OC)=O)CC3(C(OC)=O)CC1CC(C2)C3)[H]
SPLASH splash10-0a59-8940000000-640c2b610dbb8f55ffa8
Source of Spectrum SD-1981-0-0
Wiley ID 1271979