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4-Hydroxy-8-methyl-1,2,3,5,6,7-hexahydroindene-1,5-dione

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4-Hydroxy-8-methyl-1,2,3,5,6,7-hexahydroindene-1,5-dione
SpectraBase Compound ID IQXF5kUZsK3
InChI InChI=1S/C10H12O3/c1-10-5-4-7(11)9(13)6(10)2-3-8(10)12/h13H,2-5H2,1H3/t10-/m0/s1
InChIKey FTGPWWMNIMWCRA-JTQLQIEISA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GSMMvqStT2K
Name 4-Hydroxy-8-methyl-1,2,3,5,6,7-hexahydroindene-1,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.078644243 u
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-10-5-4-7(11)9(13)6(10)2-3-8(10)12/h13H,2-5H2,1H3/t10-/m0/s1
InChIKey FTGPWWMNIMWCRA-JTQLQIEISA-N
Molecular Weight 180.203 g/mol
SMILES C=12[C@@](C(=O)CC2)(CCC(C1O)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887839