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Ethanone, 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]-
SpectraBase Compound ID FOnosUK5WMx
InChI InChI=1S/C7H9NO2/c1-5(10)7-3-8-2-6(7)4-9/h2-3,8-9H,4H2,1H3
InChIKey ZCTFIKLDSSVBAL-UHFFFAOYSA-N
Mol Weight 139.15 g/mol
Molecular Formula C7H9NO2
Exact Mass 139.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpDwePpOTb0
Name Ethanone, 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]-
Alternate Name(s) 1-(4-Methylol-1H-pyrrol-3-yl)ethanone 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]ethanone 4-Acetyl-3-hydroxymethylpyrrole Verrucarin E NSC 270675
CAS Registry Number 24445-13-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H9NO2
InChI InChI=1S/C7H9NO2/c1-5(10)7-3-8-2-6(7)4-9/h2-3,8-9H,4H2,1H3
InChIKey ZCTFIKLDSSVBAL-UHFFFAOYSA-N
Molecular Weight 139.154 g/mol
SMILES OCc1c(c[nH]c1)C(C)=O
SPLASH splash10-00ri-3900000000-9ce406b792dad9b99e1d
Source of Spectrum H-59-1702-6
Wiley ID 1138609