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1-(1H-Pyrrol-2-yl)-1,3-butanedione
SpectraBase Compound ID B5y8yE77yZK
InChI InChI=1S/C8H9NO2/c1-6(10)5-8(11)7-3-2-4-9-7/h2-4,9H,5H2,1H3
InChIKey BVCVDMNMKHERTH-UHFFFAOYSA-N
Mol Weight 151.16 g/mol
Molecular Formula C8H9NO2
Exact Mass 151.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyQwYoT2icU
Name 1-(1H-Pyrrol-2-yl)-1,3-butanedione
Alternate Name(s) 1-(1H-pyrrol-2-yl)butane-1,3-dione Butane-1,3-dione, 1-(pyrrol-2-yl)-
CAS Registry Number 22441-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9NO2
InChI InChI=1S/C8H9NO2/c1-6(10)5-8(11)7-3-2-4-9-7/h2-4,9H,5H2,1H3
InChIKey BVCVDMNMKHERTH-UHFFFAOYSA-N
Molecular Weight 151.165 g/mol
SMILES [nH]1cccc1C(CC(=O)C)=O
SPLASH splash10-0gbc-9300000000-69f6ae39e0ba95fc7523
Source of Spectrum AD-0-2532-0
Wiley ID 1422959