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1H-Pyrrole-3-propanoic acid, 5-(chloromethyl)-4-(2-methoxy-2-oxoethyl)-1-[(trifluoromethyl)sulfonyl]-, methyl ester
SpectraBase Compound ID 6UJJmPYtYc7
InChI InChI=1S/C13H15ClF3NO6S/c1-23-11(19)4-3-8-7-18(25(21,22)13(15,16)17)10(6-14)9(8)5-12(20)24-2/h7H,3-6H2,1-2H3
InChIKey BYISPRLKFVMEJM-UHFFFAOYSA-N
Mol Weight 405.77 g/mol
Molecular Formula C13H15ClF3NO6S
Exact Mass 405.026071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6w1ycAoaPNP
Name 1H-Pyrrole-3-propanoic acid, 5-(chloromethyl)-4-(2-methoxy-2-oxoethyl)-1-[(trifluoromethyl)sulfonyl]-, methyl ester
CAS Registry Number 127879-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15ClF3NO6S
InChI InChI=1S/C13H15ClF3NO6S/c1-23-11(19)4-3-8-7-18(25(21,22)13(15,16)17)10(6-14)9(8)5-12(20)24-2/h7H,3-6H2,1-2H3
InChIKey BYISPRLKFVMEJM-UHFFFAOYSA-N
Molecular Weight 405.772 g/mol
SMILES c1([n](S(C(F)(F)F)(=O)=O)cc(c1CC(=O)OC)CCC(=O)OC)CCl
SPLASH splash10-022i-0089100000-a3ba8954c3341a24439b
Source of Spectrum KC-1989-1953-43
Synonyms 1-Trifluoromethylsulphonyl-2-chloromethyl-3-methoxycarbonylmethyl-4-(2-methoxycarbonylethyl)pyrrole Methyl 3-{5-(chloromethyl)-4-(2-methoxy-2-oxoethyl)-1-[(trifluoromethyl)sulfonyl]-1H-pyrrol-3-yl}propanoate
Wiley ID 1371643