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1'-Cyanocyclohexyl furan-3-carboxylate
SpectraBase Compound ID DykHIpgv5Rz
InChI InChI=1S/C12H13NO3/c13-9-12(5-2-1-3-6-12)16-11(14)10-4-7-15-8-10/h4,7-8H,1-3,5-6H2
InChIKey YHOQDSJWXCHLQV-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJBqmFfjKLB
Name 1'-Cyanocyclohexyl furan-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c13-9-12(5-2-1-3-6-12)16-11(14)10-4-7-15-8-10/h4,7-8H,1-3,5-6H2
InChIKey YHOQDSJWXCHLQV-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES c1(C(OC2(C#N)CCCCC2)=O)cocc1
SPLASH splash10-0bta-3900000000-32a237630f7854c977d2
Source of Spectrum F5-4-1673-3g
Synonyms 1-Cyanocyclohexyl furan-3-carboxylate 3-Furancarboxylic acid (1-cyanocyclohexyl) ester (1-cyanocyclohexyl) furan-3-carboxylate
Wiley ID 1732811