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6-Methyl-6-(5-methyl-1H-pyrrol-2-yl)-2-heptanone

View entire compound with spectra: 3 MS (GC)

6-Methyl-6-(5-methyl-1H-pyrrol-2-yl)-2-heptanone
SpectraBase Compound ID FLDw4c7jD2v
InChI InChI=1S/C13H21NO/c1-10-7-8-12(14-10)13(3,4)9-5-6-11(2)15/h7-8,14H,5-6,9H2,1-4H3
InChIKey QLRDOZGXDQIRRP-UHFFFAOYSA-N
Mol Weight 207.32 g/mol
Molecular Formula C13H21NO
Exact Mass 207.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NizDix2LLk
Name 6-Methyl-6-(5-methyl-1H-pyrrol-2-yl)-2-heptanone
CAS Registry Number 102668-60-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO
InChI InChI=1S/C13H21NO/c1-10-7-8-12(14-10)13(3,4)9-5-6-11(2)15/h7-8,14H,5-6,9H2,1-4H3
InChIKey QLRDOZGXDQIRRP-UHFFFAOYSA-N
Molecular Weight 207.317 g/mol
SMILES [nH]1c(ccc1C)C(C)(C)CCCC(C)=O
SPLASH splash10-00di-1900000000-957564b11dd8e0ae61ab
Source of Spectrum H-68-1112-7
Wiley ID 1205967