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Rl, trans-2, trans-5, Ethyl 2-Trichloroacetylamino-5-octylcyclo-pentanecarboxylate
SpectraBase Compound ID ABYJFFkNC6E
InChI InChI=1S/C18H30Cl3NO3/c1-3-5-6-7-8-9-10-13-11-12-14(15(13)16(23)25-4-2)22-17(24)18(19,20)21/h13-15H,3-12H2,1-2H3,(H,22,24)/t13-,14+,15+/m1/s1
InChIKey WBVQUZVNRQAXJM-ILXRZTDVSA-N
Mol Weight 414.8 g/mol
Molecular Formula C18H30Cl3NO3
Exact Mass 413.129127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKRzvZgh4EF
Name Rl, trans-2, trans-5, Ethyl 2-Trichloroacetylamino-5-octylcyclo-pentanecarboxylate
Alternate Name(s) (1S,2R,5S)-ethyl 2-octyl-5-(2,2,2-trichloroacetamido)cyclopentanecarboxylate
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Formula C18H30Cl3NO3
InChI InChI=1S/C18H30Cl3NO3/c1-3-5-6-7-8-9-10-13-11-12-14(15(13)16(23)25-4-2)22-17(24)18(19,20)21/h13-15H,3-12H2,1-2H3,(H,22,24)/t13-,14+,15+/m1/s1
InChIKey WBVQUZVNRQAXJM-ILXRZTDVSA-N
Literature Reference DOI 10.1002/asia.200900352
Molecular Weight 414.801 g/mol
SMILES N([C@@]1([C@@](C(OCC)=O)([C@](CCCCCCCC)(CC1)[H])[H])[H])C(C(Cl)(Cl)Cl)=O
SPLASH splash10-01t9-9275000000-692eafc6cc34e227c35e
Source of Spectrum CAJ-5-1117-16e
Wiley ID 1774634