SpectraBase Spectrum ID |
32gn5LGnaca |
Name |
methyl 3-[4-[3-chloro-1-(2-chloroethyl)propyl]phenyl]-2-[(2,2,2-trifluoroacetyl)amino]propanoate |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C17H20Cl2F3NO3 |
InChI |
InChI=1S/C17H20Cl2F3NO3/c1-26-15(24)14(23-16(25)17(20,21)22)10-11-2-4-12(5-3-11)13(6-8-18)7-9-19/h2-5,13-14H,6-10H2,1H3,(H,23,25) |
InChIKey |
SFESICXUCUYUQI-UHFFFAOYSA-N |
Instrument Name |
Fisons Trio-2A quadrupole |
Ionization Type |
EI Positive ion |
Literature Reference DOI |
10.1002/jhrc.1240201215 |
Molecular Weight |
414.252 g/mol |
Quality |
70 |
SMILES |
N(C(CC1=CC=C(C=C1)C(CCCl)CCCl)C(OC)=O)C(C(F)(F)F)=O |
SPLASH |
splash10-001i-0491000000-55cd57023ab7d1255088 |
Source of Spectrum |
HRC-20-699-Figure 3 c (DOI: 10.1002/jhrc.1240201215) |
Wiley ID |
1910883 |