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1,4-Adamantanediol

View entire compound with spectra: 1 FTIR

1,4-Adamantanediol
SpectraBase Compound ID L8kYvzamq54
InChI InChI=1S/C10H16O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,11-12H,1-5H2/t6?,7-,8+,9+,10-
InChIKey AUKWRHADVIQZRJ-UAWGSSSBSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7vMNQKblIg2
Name 1,4-Adamantanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9,11-12H,1-5H2/t6?,7-,8+,9+,10-
InChIKey AUKWRHADVIQZRJ-UAWGSSSBSA-N
Molecular Weight 168.236 g/mol
SMILES [C@]12(C[C@@]3(CC(C2)C[C@](C1)([C@@]3(O)[H])[H])[H])O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898386