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

View entire compound with spectra: 1 NMR, and 3 MS (GC)

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 JBSvWl5639Q
Name 5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile
CAS Registry Number 27487-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 295.810 g/mol
SMILES COc1cc(ccc1OC)C(C(C)C)(C#N)CCCCl
SPLASH splash10-0udi-0290000000-8a523b6e0f8f059e912a
Synonyms 5-Chloranyl-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile 5-Chloro-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile 5-Chloro-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Benzeneacetonitrile, .alpha.-(3-chloropropyl)-3,4-dimethoxy-.alpha.-(1-methylethyl)- EINECS 248-490-7
Wiley ID 1471819