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3-(3-chlorophenyl)-3-hydroxypropanenitrile
SpectraBase Compound ID 21IUlRySG0P
InChI InChI=1S/C9H8ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6,9,12H,4H2
InChIKey OJIUDSWBBPLJFC-UHFFFAOYSA-N
Mol Weight 181.62 g/mol
Molecular Formula C9H8ClNO
Exact Mass 181.029442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgoYDjS9bRV
Name 3-(3-chlorophenyl)-3-hydroxypropanenitrile
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8ClNO
InChI InChI=1S/C9H8ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6,9,12H,4H2
InChIKey OJIUDSWBBPLJFC-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202200043
Molecular Weight 181.622 g/mol
SMILES OC(c1cccc(c1)Cl)CC#N
SPLASH splash10-0h03-8900000000-fa8877a98ec810c8a6f7
Source of Spectrum CCC-14-SM10-2h
Wiley ID 1873265