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1,3,5-Trihydroxyadamantane

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1,3,5-Trihydroxyadamantane
SpectraBase Compound ID AQG4BmD9KmA
InChI InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2/t7-,8-,9+,10-
InChIKey MCYBYTIPMYLHAK-MSLAYNRJSA-N
Mol Weight 184.23 g/mol
Molecular Formula C10H16O3
Exact Mass 184.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HiI63Wif9qZ
Name 1,3,5-Trihydroxyadamantane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.109944372 u
Formula C10H16O3
InChI InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2/t7-,8-,9+,10-
InChIKey MCYBYTIPMYLHAK-MSLAYNRJSA-N
Molecular Weight 184.235 g/mol
SMILES [C@]12(C[C@]3(O)CC(C2)C[C@](C1)(C3)O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802186