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7-Hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde

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7-Hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde
SpectraBase Compound ID FX1RinU4Uo5
InChI InChI=1S/C12H12O3/c1-12(2)4-3-8-5-9(7-13)10(14)6-11(8)15-12/h3-7,14H,1-2H3
InChIKey XNEKIILFDVSPTH-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID TMFTG00nTM
Name 7-Hydroxy-2,2-dimethyl-2H-chromene-6-carbaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.078644243 u
Formula C12H12O3
InChI InChI=1S/C12H12O3/c1-12(2)4-3-8-5-9(7-13)10(14)6-11(8)15-12/h3-7,14H,1-2H3
InChIKey XNEKIILFDVSPTH-UHFFFAOYSA-N
Molecular Weight 204.225 g/mol
SMILES C1=2OC(C)(C)C=CC2C=C(C=O)C(=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880482