| SpectraBase Spectrum ID |
FEgGplDea2C |
| Name |
4-((Trifluoromethyl)thio)benzyl 5-methoxypentanoate |
| Appearance |
Colorless oil |
| Carrier Gas |
Argon |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.085050067 u |
| Formula |
C14H17F3O3S |
| GC Column |
HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C14H17F3O3S/c1-19-9-3-2-4-13(18)20-10-11-5-7-12(8-6-11)21-14(15,16)17/h5-8H,2-4,9-10H2,1H3 |
| InChIKey |
PLNAPMNISGWWIM-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP-7890A-AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202211939 |
| Molecular Weight |
322.342 g/mol |
| Quality |
306 |
| Reported Formula |
C14H17F3O3S |
| SMILES |
C(SC1=CC=C(C=C1)COC(CCCCOC)=O)(F)(F)F |
| SPLASH |
splash10-00r7-5910000000-2a88e7895f26b328368a |
| Source of Spectrum |
ACI-61-SM41-49 (DOI: 10.1002/anie.202211939) |
| Wiley ID |
1899563 |
