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(1'.beta.,3'.beta.)-(E)-3'-Chloro-2'-(chloromethylene)cycloheptyl p-nitrobenzoate
SpectraBase Compound ID JJxCKi3fRKV
InChI InChI=1S/C15H15Cl2NO4/c16-9-12-13(17)3-1-2-4-14(12)22-15(19)10-5-7-11(8-6-10)18(20)21/h5-9,13-14H,1-4H2/b12-9-/t13-,14+/m0/s1
InChIKey PDLMCHSOQKCKIE-JKOFNFNQSA-N
Mol Weight 344.19 g/mol
Molecular Formula C15H15Cl2NO4
Exact Mass 343.037813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ijIDkUgXLA
Name (1'.beta.,3'.beta.)-(E)-3'-Chloro-2'-(chloromethylene)cycloheptyl p-nitrobenzoate
Alternate Name(s) (1'.alpha.,3'.alpha.)-(E)-3'-Chloro-2'-(chloromethylene)cycloheptyl p-nitrobenzoate (1R,2E,3S)-3-chloro-2-(chloromethylene)cycloheptyl 4-nitrobenzoate
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Formula C15H15Cl2NO4
InChI InChI=1S/C15H15Cl2NO4/c16-9-12-13(17)3-1-2-4-14(12)22-15(19)10-5-7-11(8-6-10)18(20)21/h5-9,13-14H,1-4H2/b12-9-/t13-,14+/m0/s1
InChIKey PDLMCHSOQKCKIE-JKOFNFNQSA-N
Molecular Weight 344.194 g/mol
SMILES [C@@]1(\C([C@](CCCC1)(Cl)[H])=C/Cl)(OC(c1ccc(N(=O)=O)cc1)=O)[H]
SPLASH splash10-0udi-0901000000-b14f63a21d9300b22f3b
Source of Spectrum KC-1993-957-54
Wiley ID 779283