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3-(3',4'-Dibutyl-1'-methylpyrrol-2'-yl)acrolein
SpectraBase Compound ID 6mBcO6S8s3O
InChI InChI=1S/C16H25NO/c1-4-6-9-14-13-17(3)16(11-8-12-18)15(14)10-7-5-2/h8,11-13H,4-7,9-10H2,1-3H3/b11-8+
InChIKey XBGKMFTZLWRXIW-DHZHZOJOSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59EHQw9W0e
Name 3-(3',4'-Dibutyl-1'-methylpyrrol-2'-yl)acrolein
Alternate Name(s) (2E)-3-(3,4-dibutyl-1-methyl-1H-pyrrol-2-yl)-2-propenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO
InChI InChI=1S/C16H25NO/c1-4-6-9-14-13-17(3)16(11-8-12-18)15(14)10-7-5-2/h8,11-13H,4-7,9-10H2,1-3H3/b11-8+
InChIKey XBGKMFTZLWRXIW-DHZHZOJOSA-N
Molecular Weight 247.382 g/mol
SMILES c1([n](cc(c1CCCC)CCCC)C)\C=C\C=O
SPLASH splash10-0ml7-2960000000-6d115e8aaea2bedf560c
Source of Spectrum U-1994-508-20
Wiley ID 765792