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3-Methoxycarbonyl-2,5dimethyl-2-phenyl-hex-4-ene nitrile
SpectraBase Compound ID JBa1vvR5sk9
InChI InChI=1S/C16H19NO2/c1-12(2)10-14(15(18)19-4)16(3,11-17)13-8-6-5-7-9-13/h5-10,14H,1-4H3
InChIKey HWALHYJASGTAPW-UHFFFAOYSA-N
Mol Weight 257.33 g/mol
Molecular Formula C16H19NO2
Exact Mass 257.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qAyVehPD4
Name 3-Methoxycarbonyl-2,5dimethyl-2-phenyl-hex-4-ene nitrile
CAS Registry Number 118089-28-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO2
InChI InChI=1S/C16H19NO2/c1-12(2)10-14(15(18)19-4)16(3,11-17)13-8-6-5-7-9-13/h5-10,14H,1-4H3
InChIKey HWALHYJASGTAPW-UHFFFAOYSA-N
Molecular Weight 257.333 g/mol
SMILES C(C(C=C(C)C)C(=O)OC)(C#N)(c1ccccc1)C
SPLASH splash10-004i-5900000000-fac447ad209e87da43c3
Source of Spectrum F-46-1275-7
Synonyms Methyl 2-(1-cyano-1-phenylethyl)-4-methyl-3-pentenoate
Wiley ID 1260936