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1,2,4-Triazabicyclo[2.2.2]octan-3-one, 2-acetyl-
SpectraBase Compound ID 3Xp8uxsmihJ
InChI InChI=1S/C7H11N3O2/c1-6(11)10-7(12)8-2-4-9(10)5-3-8/h2-5H2,1H3
InChIKey IXMCMEFVANSSIZ-UHFFFAOYSA-N
Mol Weight 169.18 g/mol
Molecular Formula C7H11N3O2
Exact Mass 169.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWOVR9gbpGf
Name 1,2,4-Triazabicyclo[2.2.2]octan-3-one, 2-acetyl-
CAS Registry Number 29924-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11N3O2
InChI InChI=1S/C7H11N3O2/c1-6(11)10-7(12)8-2-4-9(10)5-3-8/h2-5H2,1H3
InChIKey IXMCMEFVANSSIZ-UHFFFAOYSA-N
Molecular Weight 169.184 g/mol
SMILES C(C)(=O)N1N2CCN(C1=O)CC2
SPLASH splash10-00bd-9400000000-40de503f4a6fa8b08ea2
Source of Spectrum W5-10587-0-0
Synonyms 2-Acetyl-1,2,4-triazabicyclo[2.2.2]octan-3-one 3-Acetyl-1,3,4-triazabicyclo[2.2.2]octan-2-one 3-Ethanoyl-1,3,4-triazabicyclo[2.2.2]octan-2-one
Wiley ID 1165641