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2-(3-azidopropyl)-2-propylcyclohexane-1,3-dione
SpectraBase Compound ID 4tfvwG3oc0s
InChI InChI=1S/C12H19N3O2/c1-2-7-12(8-4-9-14-15-13)10(16)5-3-6-11(12)17/h2-9H2,1H3
InChIKey KPSUHBRMPYEBJJ-UHFFFAOYSA-N
Mol Weight 237.3 g/mol
Molecular Formula C12H19N3O2
Exact Mass 237.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4cmlhSKLv8
Name 2-(3-azidopropyl)-2-propylcyclohexane-1,3-dione
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 237.147726862 u
Formula C12H19N3O2
InChI InChI=1S/C12H19N3O2/c1-2-7-12(8-4-9-14-15-13)10(16)5-3-6-11(12)17/h2-9H2,1H3
InChIKey KPSUHBRMPYEBJJ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 237.303 g/mol
Quality 167
SMILES C1(C(C(CCC1)=O)(CCCN=[N+]=[N-])CCC)=O
SPLASH splash10-0bti-8900000000-948df03f9e3721691135
Source of Spectrum ACI-60-SM37-1m (DOI: 10.1002/anie.202107909)
Wiley ID 1891347