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(Z)-2-(Cyclohexyl(hydroxy)methyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylonitrile
SpectraBase Compound ID FipXZuuQELm
InChI InChI=1S/C18H21NO3/c19-12-15(18(20)14-4-2-1-3-5-14)10-13-6-7-16-17(11-13)22-9-8-21-16/h6-7,10-11,14,18,20H,1-5,8-9H2/b15-10-
InChIKey URWPGJKACNZLAH-GDNBJRDFSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LalZELAE8Hx
Name (Z)-2-(Cyclohexyl(hydroxy)methyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylonitrile
Appearance Colorless oil
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Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c19-12-15(18(20)14-4-2-1-3-5-14)10-13-6-7-16-17(11-13)22-9-8-21-16/h6-7,10-11,14,18,20H,1-5,8-9H2/b15-10-
InChIKey URWPGJKACNZLAH-GDNBJRDFSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 299.370 g/mol
Reported Formula C18H21O3N
SMILES OC(C1CCCCC1)\C(=C/c1ccc2c(OCCO2)c1)C#N
SPLASH splash10-014i-1290000000-995bc94aa5a64c09d634
Sample Comments Z/E = 99:1
Source of Spectrum ACI-60-SM22-7cl
Wiley ID 1880409