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cis-,cis-1,3,5-CYCLOHEXANETRIOL, DIHYDRATE
SpectraBase Compound ID 6KYPjw9JUEX
InChI InChI=1S/C6H12O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h4-9H,1-3H2;2*1H2/t4-,5+,6-;;
InChIKey MAPLMYMZLRIJSP-XHTDGWPASA-N
Mol Weight 164.157 g/mol
Molecular Formula C6H12O5
Exact Mass 164.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6f2uoMuMSls
Name cis-,cis-1,3,5-CYCLOHEXANETRIOL, DIHYDRATE
Source of Sample Fluka AG, Buchs, Switzerland
CAS Registry Number 50409-12-6
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O3 2H2O
InChI InChI=1S/C6H12O3.2H2O/c7-4-1-5(8)3-6(9)2-4;;/h4-9H,1-3H2;2*1H2/t4-,5+,6-;;
InChIKey MAPLMYMZLRIJSP-XHTDGWPASA-N
Melting Point 108-111C
Molecular Weight 168.19
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Varian CFT-20
Synonyms CYCLOHEXANETRIOL, 1,3,5-, DIHYDRATE, cis-,cis-,