| SpectraBase Spectrum ID |
ITq7vNmU0Pu |
| Name |
4-(2'-Oxo-3'-methylbutyl)-3-(monodeuteriomethyl-1-(p-methylphenyl)-1H-pyrrole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20DNO |
| 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/i4D |
| InChIKey |
MDEHDFVDYDXTDA-QYKNYGDISA-N |
| Molecular Weight |
256.367 g/mol |
| SMILES |
c1[n](cc(c1CC(=O)C(C)C)C[2D])-c1ccc(cc1)C |
| SPLASH |
splash10-001i-0910000000-e72e7606134caeb9a820 |
| Source of Spectrum |
K1-2003-779-9 |
| Synonyms |
1-[4-(deuteriomethyl)-1-(4-methylphenyl)-3-pyrrolyl]-3-methyl-2-butanone
1-[4-(deuteriomethyl)-1-(4-methylphenyl)pyrrol-3-yl]-3-methylbutan-2-one
1-[4-(deuteriomethyl)-1-(4-methylphenyl)pyrrol-3-yl]-3-methyl-butan-2-one |
| Wiley ID |
1520781 |
