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3,4-dimethyl-3-pyrrolin-2-one
SpectraBase Compound ID 8ENFNIqivqA
InChI InChI=1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h3H2,1-2H3,(H,7,8)
InChIKey AYGIBSZRMXDJEG-UHFFFAOYSA-N
Mol Weight 111.14 g/mol
Molecular Formula C6H9NO
Exact Mass 111.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51OOjf3XnnR
Name 3,4-Dimethyl-1,5-dihydro-2H-pyrrol-2-one
CAS Registry Number 4030-22-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9NO
InChI InChI=1S/C6H9NO/c1-4-3-7-6(8)5(4)2/h3H2,1-2H3,(H,7,8)
InChIKey AYGIBSZRMXDJEG-UHFFFAOYSA-N
Molecular Weight 111.144 g/mol
SMILES N1CC(=C(C1=O)C)C
SPLASH splash10-03di-3900000000-0c47249e528571302ce1
Source of Spectrum Y-28-1691-4
Synonyms 3,4-dimethyl-1,2-dihydropyrrol-5-one 3,4-Dimethyl-3-pyrrolin-2-one
Wiley ID 1122862