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Tert-Butyl 6-cyano-4,4-dimethylhexanoate
SpectraBase Compound ID ILv3rBtzHPD
InChI InChI=1S/C13H23NO2/c1-12(2,3)16-11(15)7-9-13(4,5)8-6-10-14/h6-9H2,1-5H3
InChIKey HZRCZFCBOMMFKJ-UHFFFAOYSA-N
Mol Weight 225.33 g/mol
Molecular Formula C13H23NO2
Exact Mass 225.172879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAHi9dqasYc
Name Tert-Butyl 6-cyano-4,4-dimethylhexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H23NO2
InChI InChI=1S/C13H23NO2/c1-12(2,3)16-11(15)7-9-13(4,5)8-6-10-14/h6-9H2,1-5H3
InChIKey HZRCZFCBOMMFKJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.orglett.5b00282
Molecular Weight 225.332 g/mol
SMILES CC(CCC(=O)OC(C)(C)C)(C)CCC#N
SPLASH splash10-0pb9-5900000000-b187eb916b23361fd289
Source of Spectrum A1-17-1292/SMS9-3l
Wiley ID 1761008