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(+/-)-3,4-dihydro-5,7-dimethoxy-3-methylisocoumarin

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

(+/-)-3,4-dihydro-5,7-dimethoxy-3-methylisocoumarin
SpectraBase Compound ID 7BCumUWpxi2
InChI InChI=1S/C12H14O4/c1-7-4-9-10(12(13)16-7)5-8(14-2)6-11(9)15-3/h5-7H,4H2,1-3H3
InChIKey OHYCEHGVTQLFCU-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID E8SIFgISvtA
Name (+/-)-3,4-dihydro-5,7-dimethoxy-3-methylisocoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.089208927 u
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-7-4-9-10(12(13)16-7)5-8(14-2)6-11(9)15-3/h5-7H,4H2,1-3H3
InChIKey OHYCEHGVTQLFCU-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C=12C(=CC(=CC1C(OC(C2)C)=O)OC)OC
Spectrum/Structure Validation Score (Raman) 0.723407