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CAS Number: 4620-47-7
2,4-dioxopentan-3-yl benzoate

Structure

2,4-dioxopentan-3-yl benzoate
Name: 2,4-dioxopentan-3-yl benzoate
Synonyms:
General Information
Product Number: 4620477

CAS Registry Number 4620-47-7
Name:
2,​4-​Pentanedione, 3-​(benzoyloxy)​-
2,4-Pentanedione, 3-hydroxy-, benzoate (7CI,8CI)
2,4-Dioxopentan-3-yl benzoate
3-(Benzoyloxy)-2,4-pentanedione
3-Hydroxy-2,4-pentanedione benzoate

 

Chemical Formula: C12H12O4
Exact Mass: 220.07
Molecular Weight: 220.22
m/z: 220.07 (100.0%), 221.08 (13.3%), 222.08 (1.6%)

 

InChI:InChI=1S/C12H12O4/c1-8(13)11(9(2)14)16-12(15)10-6-4-3-5-7-10/h3-7,11H,1-2H3

InChI Key:VWWVUXIKLRIRAZ-UHFFFAOYSA-N

Canonical SMILES:CC(=O)C(C(=O)C)OC(=O)C1=CC=CC=C1

Specification

98%

References

(1) Uyanik, Muhammet; Angewandte Chemie, International Edition 2011, V50(23), P5331-5334, S5331/1-S5331/159 CAPLUS

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