SpectraBase Spectrum ID |
DDsB8qnZbEV |
Name |
1,4-Pentanedione, 1-phenyl- |
Alternate Name(s) |
1-Phenylpentane-1,4-dione
1-Phenyl-1,4-pentanedione
1-Phenyl-pentane-1,4-dione
5-Phenyl-2,5-pentanedione |
CAS Registry Number |
583-05-1 |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C11H12O2 |
InChI |
InChI=1S/C11H12O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
InChIKey |
RBLXWIPBPPVLPU-UHFFFAOYSA-N |
Molecular Weight |
176.215 g/mol |
SMILES |
C(CCC(C)=O)(=O)c1ccccc1 |
SPLASH |
splash10-0a4i-0900000000-864f0733eb498a85a101 |
Source of Spectrum |
HE-2004-1190-1 |
Wiley ID |
1581802 |