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1'-Cyanocyclohexyl 3,5-dimethylbenzoate

View entire compound with spectra: 1 MS (GC)

1'-Cyanocyclohexyl 3,5-dimethylbenzoate
SpectraBase Compound ID 1piLU18n2zg
InChI InChI=1S/C16H19NO2/c1-12-8-13(2)10-14(9-12)15(18)19-16(11-17)6-4-3-5-7-16/h8-10H,3-7H2,1-2H3
InChIKey HCCCVVZQILYLFM-UHFFFAOYSA-N
Mol Weight 257.33 g/mol
Molecular Formula C16H19NO2
Exact Mass 257.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwJ9RRL9hLP
Name 1'-Cyanocyclohexyl 3,5-dimethylbenzoate
Alternate Name(s) 1-Cyanocyclohexyl 3,5-dimethylbenzoate (1-cyanocyclohexyl) 3,5-dimethylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO2
InChI InChI=1S/C16H19NO2/c1-12-8-13(2)10-14(9-12)15(18)19-16(11-17)6-4-3-5-7-16/h8-10H,3-7H2,1-2H3
InChIKey HCCCVVZQILYLFM-UHFFFAOYSA-N
Molecular Weight 257.333 g/mol
SMILES C(c1cc(C)cc(c1)C)(OC1(C#N)CCCCC1)=O
SPLASH splash10-0f89-0900000000-ac41fb75cca6b3bcab06
Source of Spectrum F5-4-1673-3c
Wiley ID 1732814