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3-(3',4'-Dibutylpyrrol-2'-yl)acrolein
SpectraBase Compound ID L8OzB5Mg8uk
InChI InChI=1S/C15H23NO/c1-3-5-8-13-12-16-15(10-7-11-17)14(13)9-6-4-2/h7,10-12,16H,3-6,8-9H2,1-2H3/b10-7+
InChIKey SQPCIPLJUCTKQY-JXMROGBWSA-N
Mol Weight 233.35 g/mol
Molecular Formula C15H23NO
Exact Mass 233.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aSdoFu2DY
Name 3-(3',4'-Dibutylpyrrol-2'-yl)acrolein
Alternate Name(s) (2E)-3-(3,4-dibutyl-1H-pyrrol-2-yl)-2-propenal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23NO
InChI InChI=1S/C15H23NO/c1-3-5-8-13-12-16-15(10-7-11-17)14(13)9-6-4-2/h7,10-12,16H,3-6,8-9H2,1-2H3/b10-7+
InChIKey SQPCIPLJUCTKQY-JXMROGBWSA-N
Molecular Weight 233.355 g/mol
SMILES [nH]1cc(c(c1\C=C\C=O)CCCC)CCCC
SPLASH splash10-06wc-0930000000-d056141c041a14eada74
Source of Spectrum U-1994-507-12
Wiley ID 765797