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(S)-Methyl 4-cyano-4-(3',4'-dichlorophenyl)-6-hydroxyhexanoate
SpectraBase Compound ID 13ExFSxuZbk
InChI InChI=1S/C14H15Cl2NO3/c1-20-13(19)4-5-14(9-17,6-7-18)10-2-3-11(15)12(16)8-10/h2-3,8,18H,4-7H2,1H3/t14-/m1/s1
InChIKey SDMUAWORVSRUGF-CQSZACIVSA-N
Mol Weight 316.18 g/mol
Molecular Formula C14H15Cl2NO3
Exact Mass 315.042899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBAWyzQPBtE
Name (S)-Methyl 4-cyano-4-(3',4'-dichlorophenyl)-6-hydroxyhexanoate
Alternate Name(s) Methyl (4S)-4-cyano-4-(3,4-dichlorophenyl)-6-hydroxyhexanoate
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Formula C14H15Cl2NO3
InChI InChI=1S/C14H15Cl2NO3/c1-20-13(19)4-5-14(9-17,6-7-18)10-2-3-11(15)12(16)8-10/h2-3,8,18H,4-7H2,1H3/t14-/m1/s1
InChIKey SDMUAWORVSRUGF-CQSZACIVSA-N
Molecular Weight 316.184 g/mol
SMILES OCC[C@](C#N)(c1cc(Cl)c(cc1)Cl)CCC(=O)OC
SPLASH splash10-00dj-6691000000-f8d647b773a6cc1f8a22
Source of Spectrum KC-57-8200-12
Wiley ID 1625962