| SpectraBase Spectrum ID |
BPG4sKPeM1f |
| Name |
N,N-Dibutyl-3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylbenzamide |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.218863990 u |
| Formula |
C27H32FNOS |
| InChI |
InChI=1S/C27H32FNOS/c1-4-6-16-29(17-7-5-2)27(30)22-9-8-20(3)23(18-22)19-25-14-15-26(31-25)21-10-12-24(28)13-11-21/h8-15,18H,4-7,16-17,19H2,1-3H3 |
| InChIKey |
IKPCZAYBOMAOCM-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202205440 |
| Molecular Weight |
437.617 g/mol |
| Quality |
22 |
| Reported Formula |
C27H32FNOS |
| SMILES |
C(CCC)N(C(C1=CC(=C(C=C1)C)CC=1SC(=CC1)C1=CC=C(C=C1)F)=O)CCCC |
| SPLASH |
splash10-0a4i-0209000000-ce0d88ba5e6688198142 |
| Source of Spectrum |
ACI-61-SM44-13k (DOI: 10.1002/anie.202205440) |
| Wiley ID |
1897860 |
