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6-(Carboxymethoxy)-4-methylcoumarin

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

6-(Carboxymethoxy)-4-methylcoumarin
SpectraBase Compound ID CYcssnRWItI
InChI InChI=1S/C12H10O5/c1-7-4-12(15)17-10-3-2-8(5-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey NBDCLFDWCPWSQW-UHFFFAOYSA-N
Mol Weight 234.21 g/mol
Molecular Formula C12H10O5
Exact Mass 234.052823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LDNP37B6gFS
Name 6-(Carboxymethoxy)-4-methylcoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.052823417 u
Formula C12H10O5
InChI InChI=1S/C12H10O5/c1-7-4-12(15)17-10-3-2-8(5-9(7)10)16-6-11(13)14/h2-5H,6H2,1H3,(H,13,14)
InChIKey NBDCLFDWCPWSQW-UHFFFAOYSA-N
Molecular Weight 234.207 g/mol
SMILES C=1(C2=C(C=CC(=C2)OCC(=O)O)OC(C1)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92001