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5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile

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5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile
SpectraBase Compound ID 9eucy5JNcSe
InChI InChI=1S/C16H22ClNO2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9H2,1-4H3
InChIKey VDQLTWSIHIWIFQ-UHFFFAOYSA-N
Mol Weight 295.81 g/mol
Molecular Formula C16H22ClNO2
Exact Mass 295.133907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkRPUfkenOo
Name alpha-(3-Chloropropyl)-3,4-dimethoxy-alpha-isopropylbenzeneacetonitrile
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H22ClNO2
InChI InChI=1S/C16H22ClNO2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9H2,1-4H3
InChIKey VDQLTWSIHIWIFQ-UHFFFAOYSA-N
Molecular Weight 295.1334
SMILES COc1c(OC)ccc(C(CCCCl)(C#N)C(C)C)c1
SPLASH splash10-0udi-0290000000-482d26affa95657f90dd
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany