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Hydrocoumarin
SpectraBase Compound ID DH5Cz3XNvG9
InChI InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey VMUXSMXIQBNMGZ-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C9H8O2
Exact Mass 148.052429 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HSpNt8Qefd1
Name Dihydrocoumarin
Acquisition Mode SIMULTANEOUS
CAS Registry Number 119-84-6; 1341-36-2
ChEBI ID 16151
Comments Saturated Dihydrocoumarin - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C9 H8 O2
IUPAC Name 2-chromanone; chroman-2-one
InChI InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
InChIKey VMUXSMXIQBNMGZ-UHFFFAOYSA-N
KEGG Compound ID C02274
KEGG Pathways PATH: ko00628 Fluorene degradation
PubChem Compound ID 660
SMILES C1CC(=O)OC2=CC=CC=C21
Source File Reference bmse000412