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2,4-Adamantanediol, stereoisomer
SpectraBase Compound ID 6LdfafFLmL
InChI InChI=1S/C10H16O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-12H,1-4H2/t5-,6-,7+,8-,9-,10-/m1/s1
InChIKey PBWYCJIFRBPVPW-TYKPCOJTSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49cXywHqSv6
Name 2,4-Adamantanediol, stereoisomer
CAS Registry Number 28644-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2
InChI InChI=1S/C10H16O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5/h5-12H,1-4H2/t5-,6-,7+,8-,9-,10-/m1/s1
InChIKey PBWYCJIFRBPVPW-TYKPCOJTSA-N
Molecular Weight 168.236 g/mol
SMILES O[C@]1([C@]2(C[C@]3(C[C@]([C@]2(O)[H])([H])C[C@]1([H])C3)[H])[H])[H]
SPLASH splash10-0udi-3900000000-6acd1df2f5890bef03d2
Source of Spectrum F-38-987-0
Synonyms Tricyclo[3.3.1.13,7]decane-2,4-diol, (1.alpha.,2.alpha.,3.beta.,4.beta.,5.alpha.,7.beta.)- (1R,2R,4R,5R)-tricyclo[3.3.1.1(3,7)]decane-2,4-diol Adamantan-2e,4a-diol
Wiley ID 1164735