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6-(1,5-Dimethyl-1H-pyrrol-2-yl)-6-methyl-2-heptanone
SpectraBase Compound ID 1Et2ywGfVky
InChI InChI=1S/C14H23NO/c1-11-8-9-13(15(11)5)14(3,4)10-6-7-12(2)16/h8-9H,6-7,10H2,1-5H3
InChIKey KJVPKRDBRQTRIC-UHFFFAOYSA-N
Mol Weight 221.34 g/mol
Molecular Formula C14H23NO
Exact Mass 221.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Az1qbz1X8jS
Name 6-(1,5-Dimethyl-1H-pyrrol-2-yl)-6-methyl-2-heptanone
Alternate Name(s) 2-Heptanone, 6-(1,5-dimethylpyrrol-2-yl)-6-methyl- 6-(1,5-dimethyl-2-pyrrolyl)-6-methyl-2-heptanone 6-(1,5-dimethylpyrrol-2-yl)-6-methyl-heptan-2-one
CAS Registry Number 102635-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NO
InChI InChI=1S/C14H23NO/c1-11-8-9-13(15(11)5)14(3,4)10-6-7-12(2)16/h8-9H,6-7,10H2,1-5H3
InChIKey KJVPKRDBRQTRIC-UHFFFAOYSA-N
Molecular Weight 221.344 g/mol
SMILES CC(=O)CCCC(C)(C)c1[n](c(cc1)C)C
SPLASH splash10-000i-3900000000-b8238e4ede3ad1821e2d
Wiley ID 1483964