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Trans,trans-2-nitro-1,3-cyclohexanediol

View entire compound with spectra: 1 FTIR, and 1 Raman

Trans,trans-2-nitro-1,3-cyclohexanediol
SpectraBase Compound ID HvLRbkHKCYv
InChI InChI=1S/C6H11NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h4-6,8-9H,1-3H2/t4-,5+,6+
InChIKey MOARHLBZNDZIFZ-FMCRUOTFSA-N
Mol Weight 161.16 g/mol
Molecular Formula C6H11NO4
Exact Mass 161.068808 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID KHLt1ow6trf
Name Trans,trans-2-nitro-1,3-cyclohexanediol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 161.068807834 u
Formula C6H11NO4
InChI InChI=1S/C6H11NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h4-6,8-9H,1-3H2/t4-,5+,6+
InChIKey MOARHLBZNDZIFZ-FMCRUOTFSA-N
Molecular Weight 161.157 g/mol
SMILES O[C@]1([C@]([C@](CCC1)(O)[H])(N(=O)=O)[H])[H]
Spectrum/Structure Validation Score (Raman) 0.991719