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(S)-3-(3,4-Dichlorophenyl)-3-hydroxypropanenitrile
SpectraBase Compound ID Ay8QNHVQUlp
InChI InChI=1S/C9H7Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5,9,13H,3H2/t9-/m0/s1
InChIKey PPTNXEHDMZHGOJ-VIFPVBQESA-N
Mol Weight 216.07 g/mol
Molecular Formula C9H7Cl2NO
Exact Mass 214.990469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xSbCLygq5L
Name (S)-3-(3,4-Dichlorophenyl)-3-hydroxypropanenitrile
Alternate Name(s) (3S)-3-(3,4-dichlorophenyl)-3-hydroxypropanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7Cl2NO
InChI InChI=1S/C9H7Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5,9,13H,3H2/t9-/m0/s1
InChIKey PPTNXEHDMZHGOJ-VIFPVBQESA-N
Molecular Weight 216.067 g/mol
SMILES O[C@](c1cc(Cl)c(cc1)Cl)(CC#N)[H]
SPLASH splash10-01ot-0900000000-395d6ad82de8a6a564b8
Source of Spectrum QC-11-3698-2
Wiley ID 860063