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2-Allyl-2-(3',5'-dimethyl-4'-isoxazolyl)-4-pentenonitrile
SpectraBase Compound ID J69ZYbuq5wn
InChI InChI=1S/C13H16N2O/c1-5-7-13(9-14,8-6-2)12-10(3)15-16-11(12)4/h5-6H,1-2,7-8H2,3-4H3
InChIKey QMVZFBXOSAPPMO-UHFFFAOYSA-N
Mol Weight 216.28 g/mol
Molecular Formula C13H16N2O
Exact Mass 216.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ewj58KrR5Ld
Name 2-Allyl-2-(3',5'-dimethyl-4'-isoxazolyl)-4-pentenonitrile
Alternate Name(s) 2-Allyl-2-(3,5-dimethyl-4-isoxazolyl)-4-pentenenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O
InChI InChI=1S/C13H16N2O/c1-5-7-13(9-14,8-6-2)12-10(3)15-16-11(12)4/h5-6H,1-2,7-8H2,3-4H3
InChIKey QMVZFBXOSAPPMO-UHFFFAOYSA-N
Molecular Weight 216.284 g/mol
SMILES c1(c(onc1C)C)C(C#N)(CC=C)CC=C
SPLASH splash10-002f-5900000000-0eb3d59c58a21d9015e5
Source of Spectrum Y4-83-190-26
Wiley ID 1549976