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2-Hexenoic acid, 6,6,6-trichloro-3-methoxy-5-methyl-, methyl ester, [R-(E)]-
SpectraBase Compound ID 5jPjY38GhR0
InChI InChI=1S/C9H13Cl3O3/c1-6(9(10,11)12)4-7(14-2)5-8(13)15-3/h5-6H,4H2,1-3H3/b7-5+/t6-/m1/s1
InChIKey RIRXULGBWYUXJM-LUFONEFESA-N
Mol Weight 275.56 g/mol
Molecular Formula C9H13Cl3O3
Exact Mass 273.993027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLXHz4MVLVv
Name 2-Hexenoic acid, 6,6,6-trichloro-3-methoxy-5-methyl-, methyl ester, [R-(E)]-
Alternate Name(s) Methyl (2E,5R)-6,6,6-trichloro-3-methoxy-5-methyl-2-hexenoate Methylester of (-)-(5R,2E)-3-methoxy-5-trichlormethyl-2-hexanoic acid
CAS Registry Number 95187-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13Cl3O3
InChI InChI=1S/C9H13Cl3O3/c1-6(9(10,11)12)4-7(14-2)5-8(13)15-3/h5-6H,4H2,1-3H3/b7-5+/t6-/m1/s1
InChIKey RIRXULGBWYUXJM-LUFONEFESA-N
Molecular Weight 275.559 g/mol
SMILES C([C@@](C\C(=C/C(=O)OC)OC)(C)[H])(Cl)(Cl)Cl
SPLASH splash10-0a6r-0910000000-aeeab53b31f849549dbf
Source of Spectrum H-67-1790-0
Wiley ID 1277593