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(2E)-2-(Cyanomethylene)-3-hydroxy-4,5-dimethoxycyclohexyl acetate
SpectraBase Compound ID I1wwogjjF7M
InChI InChI=1S/C12H17NO5/c1-7(14)18-9-6-10(16-2)12(17-3)11(15)8(9)4-5-13/h4,9-12,15H,6H2,1-3H3/b8-4-
InChIKey NHHJWBNVDLAIQT-YWEYNIOJSA-N
Mol Weight 255.27 g/mol
Molecular Formula C12H17NO5
Exact Mass 255.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTibxgOeJOL
Name (2E)-2-(Cyanomethylene)-3-hydroxy-4,5-dimethoxycyclohexyl acetate
CAS Registry Number 70239-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO5
InChI InChI=1S/C12H17NO5/c1-7(14)18-9-6-10(16-2)12(17-3)11(15)8(9)4-5-13/h4,9-12,15H,6H2,1-3H3/b8-4-
InChIKey NHHJWBNVDLAIQT-YWEYNIOJSA-N
Molecular Weight 255.270 g/mol
SMILES OC1\C(C(CC(OC)C1OC)OC(C)=O)=C/C#N
SPLASH splash10-0076-9300000000-4caa1ec75df209875c4d
Source of Spectrum W5-1989-6625-1
Synonyms (E)-2-(Cyanomethylene)-4,5-dimethoxy-3-hydroxycyclohexyl acetate Acetic acid [(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl] ester [(2E)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl] acetate [(2E)-2-(cyanomethylene)-3-hydroxy-4,5-dimethoxy-cyclohexyl] acetate [(2E)-2-(cyanomethylidene)-4,5-dimethoxy-3-oxidanyl-cyclohexyl] ethanoate
Wiley ID 1258687