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1-[1-(3-hydroxypropyl)-3-pyrrolyl]ethanone
SpectraBase Compound ID IVlEP7qpAUK
InChI InChI=1S/C9H13NO2/c1-8(12)9-3-5-10(7-9)4-2-6-11/h3,5,7,11H,2,4,6H2,1H3
InChIKey XBLCCKJMDOEBAX-UHFFFAOYSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5HcmhPERDN
Name 1-[1-(3-hydroxypropyl)-3-pyrrolyl]ethanone
Alternate Name(s) 1-[1-(3-hydroxypropyl)pyrrol-3-yl]ethanone 1-[1-(3-oxidanylpropyl)pyrrol-3-yl]ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c1-8(12)9-3-5-10(7-9)4-2-6-11/h3,5,7,11H,2,4,6H2,1H3
InChIKey XBLCCKJMDOEBAX-UHFFFAOYSA-N
Molecular Weight 167.208 g/mol
SMILES OCCC[n]1cc(cc1)C(=O)C
SPLASH splash10-0gb9-0900000000-9866688ab03c80aa0b2a
Source of Spectrum SO-0-172-3
Wiley ID 1541956