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4-Hydroxy-3-[3-oxo-1-(²H₅)phenylbutyl]-2H-chromen-2-one

ChemSpider ID: 23937379
Molecular Formula: C₁₉H₁₁D₅O₄
Average mass: 313.358704 Da
Monoisotopic mass: 313.13623 Da
Systematic name

4-Hydroxy-3-[3-oxo-1-(²H₅)phenylbutyl]-2H-chromen-2-one
SMILES and InChIs

SMILES:

[2H]c1c(c(c(c(c1[2H])[2H])C(CC(=O)C)c2c(c3ccccc3oc2=O)O)[2H])[2H] Copied

Std. InChI:

InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/i2D,3D,4D,7D,8D Copied

Std. InChIKey:

PJVWKTKQMONHTI-ATTUOBAHSA-N Copied
Cite this record
CSID:23937379, http://www.chemspider.com/Chemical-Structure.23937379.html (accessed 23:43, May 22, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

2H-1-benzopyran-2-one, 4-hydroxy-3-[3-oxo-1-(phenyl-d₅)butyl]-

4-Hydroxy-3-[3-oxo-1-(²H₅)phenylbutyl]-2H-chromen-2-one

(±)-Warfarin-d5 (phenyl-d5)

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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