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3-Methoxycarbonyl-5-methyl-2-(3-chlorophenyl)-hex-4-ene nitrile
SpectraBase Compound ID Ii9TWWxoOuK
InChI InChI=1S/C15H16ClNO2/c1-10(2)7-13(15(18)19-3)14(9-17)11-5-4-6-12(16)8-11/h4-8,13-14H,1-3H3
InChIKey YMJLJDFWVCKDCR-UHFFFAOYSA-N
Mol Weight 277.75 g/mol
Molecular Formula C15H16ClNO2
Exact Mass 277.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pyYuIVkZ1V
Name 3-Methoxycarbonyl-5-methyl-2-(3-chlorophenyl)-hex-4-ene nitrile
CAS Registry Number 128746-93-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16ClNO2
InChI InChI=1S/C15H16ClNO2/c1-10(2)7-13(15(18)19-3)14(9-17)11-5-4-6-12(16)8-11/h4-8,13-14H,1-3H3
InChIKey YMJLJDFWVCKDCR-UHFFFAOYSA-N
Molecular Weight 277.751 g/mol
SMILES C(C(c1cc(Cl)ccc1)C#N)(C=C(C)C)C(=O)OC
SPLASH splash10-004j-9600000000-e288ee2e242cc1df5d31
Source of Spectrum F-46-1275-6
Synonyms Methyl 2-[(3-chlorophenyl)(cyano)methyl]-4-methyl-3-pentenoate
Wiley ID 1280977