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2-((2R,6S)-2-Hydroxy-6-methoxy-cyclohexylmethyl)-[1,4]benzoquinone

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2-((2R,6S)-2-Hydroxy-6-methoxy-cyclohexylmethyl)-[1,4]benzoquinone
SpectraBase Compound ID CmH6Jh4YSJp
InChI InChI=1S/C14H18O4/c1-18-14-4-2-3-13(17)11(14)8-9-7-10(15)5-6-12(9)16/h5-7,11,13-14,17H,2-4,8H2,1H3/t11?,13-,14+/m1/s1
InChIKey TXQJPCLIZNLHOU-WLPIGLKUSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FU8eVln7GHL
Name 2-((2R,6S)-2-Hydroxy-6-methoxy-cyclohexylmethyl)-[1,4]benzoquinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.120509056 u
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-18-14-4-2-3-13(17)11(14)8-9-7-10(15)5-6-12(9)16/h5-7,11,13-14,17H,2-4,8H2,1H3/t11?,13-,14+/m1/s1
InChIKey TXQJPCLIZNLHOU-WLPIGLKUSA-N
Molecular Weight 250.294 g/mol
SMILES C1(CC2[C@](O)(CCC[C@@]2(OC)[H])[H])=CC(=O)C=CC1=O