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Tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, 4,10-dihydroxy-, methyl ester
SpectraBase Compound ID 8bZbd1Pm1kQ
InChI InChI=1S/C12H18O4/c1-16-12(15)8-5-2-6-4-7(3-5)11(14)9(8)10(6)13/h5-11,13-14H,2-4H2,1H3/t5-,6+,7-,8-,9+,10-,11+/m1/s1
InChIKey AFKVCERGDNJDMO-UHFFFAOYSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTqUPrOwyHc
Name Tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, 4,10-dihydroxy-, methyl ester
CAS Registry Number 56830-78-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-16-12(15)8-5-2-6-4-7(3-5)11(14)9(8)10(6)13/h5-11,13-14H,2-4H2,1H3/t5-,6+,7-,8-,9+,10-,11+/m1/s1
InChIKey AFKVCERGDNJDMO-UHFFFAOYSA-N
Molecular Weight 226.272 g/mol
SMILES O[C@]1([C@]2(C[C@@]3(C[C@@]([C@]([C@]1([C@@]3(O)[H])[H])(C(OC)=O)[H])(C2)[H])[H])[H])[H]
SPLASH splash10-0f96-9700000000-66a35589865337ebc087
Source of Spectrum EP-6378-0-0
Synonyms Methyl 4,10-dihydroxy-2-adamantanecarboxylate 4,10-dihydroxy-2-adamantanecarboxylic acid methyl ester 4,10-dihydroxyadamantane-2-carboxylic acid methyl ester Methyl 4,10-bis(oxidanyl)adamantane-2-carboxylate Methyl 4,10-dihydroxyadamantane-2-carboxylate
Wiley ID 1227272