| SpectraBase Spectrum ID |
9P1xkWNCQ47 |
| Name |
methyl 3-[4-[1-(2-chloroethyl)-3-(2,2,2-trifluoroacetyl)oxy-propyl]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H20ClF6NO5 |
| InChI |
InChI=1S/C19H20ClF6NO5/c1-31-15(28)14(27-16(29)18(21,22)23)10-11-2-4-12(5-3-11)13(6-8-20)7-9-32-17(30)19(24,25)26/h2-5,13-14H,6-10H2,1H3,(H,27,29) |
| InChIKey |
UHLJTDXBFYUIEA-UHFFFAOYSA-N |
| Instrument Name |
Fisons Trio-2A quadrupole |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/jhrc.1240201215 |
| Molecular Weight |
491.814 g/mol |
| Quality |
61 |
| SMILES |
N(C(CC1=CC=C(C=C1)C(CCCl)CCOC(C(F)(F)F)=O)C(OC)=O)C(C(F)(F)F)=O |
| SPLASH |
splash10-0a4i-0509000000-b5103e791624e660eb68 |
| Source of Spectrum |
HRC-20-699-Figure 3 b (DOI: 10.1002/jhrc.1240201215) |
| Wiley ID |
1910882 |
![methyl 3-[4-[1-(2-chloroethyl)-3-(2,2,2-trifluoroacetyl)oxy-propyl]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate](/api/spectrum/9P1xkWNCQ47/structure.png?h=300&w=458 "methyl 3-[4-[1-(2-chloroethyl)-3-(2,2,2-trifluoroacetyl)oxy-propyl]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate")
