| SpectraBase Spectrum ID |
J5QFmNqBWXQ |
| Name |
3-methyl-1-[4-methyl-1-(4-methylphenyl)-3-pyrrolyl]-2-butanone |
| Alternate Name(s) |
3-methyl-1-[4-methyl-1-(4-methylphenyl)pyrrol-3-yl]butan-2-one
3-methyl-1-[4-methyl-1-(p-tolyl)pyrrol-3-yl]butan-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NO |
| InChI |
InChI=1S/C17H21NO/c1-12(2)17(19)9-15-11-18(10-14(15)4)16-7-5-13(3)6-8-16/h5-8,10-12H,9H2,1-4H3 |
| InChIKey |
MDEHDFVDYDXTDA-UHFFFAOYSA-N |
| Molecular Weight |
255.361 g/mol |
| SMILES |
c1[n](cc(c1CC(=O)C(C)C)C)-c1ccc(cc1)C |
| SPLASH |
splash10-001i-0900000000-0793007738d785c46b53 |
| Source of Spectrum |
K1-2003-779-9 |
| Wiley ID |
1520782 |
![3-methyl-1-[4-methyl-1-(4-methylphenyl)-3-pyrrolyl]-2-butanone](/api/spectrum/J5QFmNqBWXQ/structure.png?h=300&w=458 "3-methyl-1-[4-methyl-1-(4-methylphenyl)-3-pyrrolyl]-2-butanone")
