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(Z)-2-(Hydroxy(2-methoxyphenyl)methyl)-4-methoxy-3-methylbut-2-enenitrile
SpectraBase Compound ID BLfc5hEkJHX
InChI InChI=1S/C14H17NO3/c1-10(9-17-2)12(8-15)14(16)11-6-4-5-7-13(11)18-3/h4-7,14,16H,9H2,1-3H3/b12-10-
InChIKey QNNVGPSAFPTGJI-BENRWUELSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Pz0kHUYdw8
Name (Z)-2-(Hydroxy(2-methoxyphenyl)methyl)-4-methoxy-3-methylbut-2-enenitrile
Appearance White solid
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Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-10(9-17-2)12(8-15)14(16)11-6-4-5-7-13(11)18-3/h4-7,14,16H,9H2,1-3H3/b12-10-
InChIKey QNNVGPSAFPTGJI-BENRWUELSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 247.294 g/mol
Reported Formula C14H17NO3
SMILES OC(c1c(cccc1)OC)\C(C#N)=C/(COC)C
SPLASH splash10-0ue9-0960000000-34977a225e72e72ef1ba
Sample Comments Z/E = 99:1
Source of Spectrum ACI-60-SM37-10dk
Wiley ID 1880385