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2-(3-azidopropyl)-2-(2-chlorobenzyl)cyclohexane-1,3-dione
SpectraBase Compound ID KjHqbACgb2R
InChI InChI=1S/C16H18ClN3O2/c17-13-6-2-1-5-12(13)11-16(9-4-10-19-20-18)14(21)7-3-8-15(16)22/h1-2,5-6H,3-4,7-11H2
InChIKey LGGBFHJEXJKZMR-UHFFFAOYSA-N
Mol Weight 319.79 g/mol
Molecular Formula C16H18ClN3O2
Exact Mass 319.108755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vYFhhDGCs
Name 2-(3-azidopropyl)-2-(2-chlorobenzyl)cyclohexane-1,3-dione
Appearance Yellow oil
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Exact Mass 319.108754530 u
Formula C16H18ClN3O2
InChI InChI=1S/C16H18ClN3O2/c17-13-6-2-1-5-12(13)11-16(9-4-10-19-20-18)14(21)7-3-8-15(16)22/h1-2,5-6H,3-4,7-11H2
InChIKey LGGBFHJEXJKZMR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 319.792 g/mol
Quality 129
SMILES C1(C(C(CCC1)=O)(CCCN=[N+]=[N-])CC1=C(C=CC=C1)Cl)=O
SPLASH splash10-014r-0900000000-86cbc90ed0cad1ff0e4d
Source of Spectrum ACI-60-SM34-1e (DOI: 10.1002/anie.202107909)
Wiley ID 1891341