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2-isopropylamino-6,6-dimethyl-heptan-3-en-5-one
SpectraBase Compound ID 5IaLMqAhx0q
InChI InChI=1S/C12H23NO/c1-9(2)13-10(3)7-8-11(14)12(4,5)6/h7-10,13H,1-6H3/b8-7+
InChIKey RVJMHIKWCAULOX-BQYQJAHWSA-N
Mol Weight 197.32 g/mol
Molecular Formula C12H23NO
Exact Mass 197.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LENFZN0SbbR
Name 2-isopropylamino-6,6-dimethyl-heptan-3-en-5-one
Alternate Name(s) (4E)-6-(isopropylamino)-2,2-dimethyl-4-hepten-3-one
CAS Registry Number 97135-63-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H23NO
InChI InChI=1S/C12H23NO/c1-9(2)13-10(3)7-8-11(14)12(4,5)6/h7-10,13H,1-6H3/b8-7+
InChIKey RVJMHIKWCAULOX-BQYQJAHWSA-N
Molecular Weight 197.322 g/mol
SMILES N(C(\C=C\C(C(C)(C)C)=O)C)C(C)C
SPLASH splash10-0006-9500000000-d1c61cfc4fa2d7f5e7ab
Source of Spectrum J-50-2994-13
Wiley ID 1194603