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1'-Cyanocyclohexyl 3,4,5-trimethoxybenzoate
SpectraBase Compound ID KiOEATcOJWX
InChI InChI=1S/C17H21NO5/c1-20-13-9-12(10-14(21-2)15(13)22-3)16(19)23-17(11-18)7-5-4-6-8-17/h9-10H,4-8H2,1-3H3
InChIKey QUBJQUUJBGJHRA-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82MkgRzWktz
Name 1'-Cyanocyclohexyl 3,4,5-trimethoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-20-13-9-12(10-14(21-2)15(13)22-3)16(19)23-17(11-18)7-5-4-6-8-17/h9-10H,4-8H2,1-3H3
InChIKey QUBJQUUJBGJHRA-UHFFFAOYSA-N
Molecular Weight 319.357 g/mol
SMILES C(c1cc(OC)c(c(c1)OC)OC)(OC1(C#N)CCCCC1)=O
SPLASH splash10-03xs-3697000000-a3271c98de24e26f4072
Source of Spectrum F5-4-1673-3d
Synonyms 1-Cyanocyclohexyl 3,4,5-trimethoxybenzoate (1-cyanocyclohexyl) 3,4,5-trimethoxybenzoate
Wiley ID 1732813