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trans-2-[6-(2-Propenyl)-2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-2,4-cyclohexadien-1-yl]acetonitrile
SpectraBase Compound ID CnPfWEsbe2M
InChI InChI=1S/C16H20N2O/c1-4-6-12-7-5-8-14(13(12)9-10-17)15-18-16(2,3)11-19-15/h4-5,7-8,12-13H,1,6,9,11H2,2-3H3/t12-,13+/m0/s1
InChIKey RSPMCMAZUFYOER-QWHCGFSZSA-N
Mol Weight 256.35 g/mol
Molecular Formula C16H20N2O
Exact Mass 256.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H7rn733mF5Z
Name trans-2-[6-(2-Propenyl)-2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-2,4-cyclohexadien-1-yl]acetonitrile
Alternate Name(s) [(1R,6S)-6-allyl-2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2,4-cyclohexadien-1-yl]acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O
InChI InChI=1S/C16H20N2O/c1-4-6-12-7-5-8-14(13(12)9-10-17)15-18-16(2,3)11-19-15/h4-5,7-8,12-13H,1,6,9,11H2,2-3H3/t12-,13+/m0/s1
InChIKey RSPMCMAZUFYOER-QWHCGFSZSA-N
Molecular Weight 256.349 g/mol
SMILES C1(=NC(C)(C)CO1)C=1[C@@]([C@@](CC=C)(C=CC1)[H])(CC#N)[H]
SPLASH splash10-014l-0950000000-301f23a0011b271f35ee
Source of Spectrum J-59-4781-7
Wiley ID 1260150