| SpectraBase Spectrum ID |
I5f7rWfoBal |
| Name |
3-(6'-Bromo-2'-oxohexyl)-4-methyl-1-(p-methylphenyl)-1H-pyrrole |
| Alternate Name(s) |
6-bromo-1-[4-methyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-hexanone
6-bromo-1-[4-methyl-1-(4-methylphenyl)-3-pyrrolyl]-2-hexanone
6-bromo-1-[4-methyl-1-(4-methylphenyl)pyrrol-3-yl]hexan-2-one
6-bromanyl-1-[4-methyl-1-(4-methylphenyl)pyrrol-3-yl]hexan-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22BrNO |
| InChI |
InChI=1S/C18H22BrNO/c1-14-6-8-17(9-7-14)20-12-15(2)16(13-20)11-18(21)5-3-4-10-19/h6-9,12-13H,3-5,10-11H2,1-2H3 |
| InChIKey |
IBUKQHJMQNTAIV-UHFFFAOYSA-N |
| Molecular Weight |
348.284 g/mol |
| SMILES |
c1[n](cc(c1CC(=O)CCCCBr)C)-c1ccc(cc1)C |
| SPLASH |
splash10-001i-0900000000-ecee75985096395d1f83 |
| Source of Spectrum |
K1-2003-779-16 |
| Wiley ID |
1520773 |
