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2-[(Benzoyl-3-methyl-butyl)amino]-cyclopentene-1-carbonitrile
SpectraBase Compound ID 7SxLtDVCNn7
InChI InChI=1S/C18H22N2O/c1-13(2)11-17(18(21)14-7-4-3-5-8-14)20-16-10-6-9-15(16)12-19/h3-5,7-8,13,17,20H,6,9-11H2,1-2H3
InChIKey IOCNVBDXEBWBQU-UHFFFAOYSA-N
Mol Weight 282.39 g/mol
Molecular Formula C18H22N2O
Exact Mass 282.173213 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FODBj9Tswbj
Name 2-[(Benzoyl-3-methyl-butyl)amino]-cyclopentene-1-carbonitrile
CAS Registry Number 113495-98-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N2O
InChI InChI=1S/C18H22N2O/c1-13(2)11-17(18(21)14-7-4-3-5-8-14)20-16-10-6-9-15(16)12-19/h3-5,7-8,13,17,20H,6,9-11H2,1-2H3
InChIKey IOCNVBDXEBWBQU-UHFFFAOYSA-N
Molecular Weight 282.387 g/mol
SMILES N(C(C(c1ccccc1)=O)CC(C)C)C1=C(CCC1)C#N
SPLASH splash10-004i-1900000000-e40923a9249775516037
Source of Spectrum H-70-1283-0
Wiley ID 1286298