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6-[(5-keto-1,4-diazepan-1-yl)methyl]picolinaldehyde
SpectraBase Compound ID DlyJ6jBNOIy
InChI InChI=1S/C12H15N3O2/c16-9-11-3-1-2-10(14-11)8-15-6-4-12(17)13-5-7-15/h1-3,9H,4-8H2,(H,13,17)
InChIKey KILTWBYLMQZZAF-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C12H15N3O2
Exact Mass 233.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjAL7YzDFVg
Name 6-[(5-keto-1,4-diazepan-1-yl)methyl]picolinaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2
InChI InChI=1S/C12H15N3O2/c16-9-11-3-1-2-10(14-11)8-15-6-4-12(17)13-5-7-15/h1-3,9H,4-8H2,(H,13,17)
InChIKey KILTWBYLMQZZAF-UHFFFAOYSA-N
Molecular Weight 233.271 g/mol
SMILES N1CCN(CCC1=O)Cc1nc(C=O)ccc1
SPLASH splash10-00di-0900000000-7e067ed1925228ce8485
Source of Spectrum C-106-637-0
Synonyms 6-[(5-oxidanylidene-1,4-diazepan-1-yl)methyl]pyridine-2-carbaldehyde 6-[(5-oxo-1,4-diazepan-1-yl)methyl]-2-pyridinecarboxaldehyde 6-[(5-oxo-1,4-diazepan-1-yl)methyl]pyridine-2-carbaldehyde
Wiley ID 1234830