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2-(3-azidopropyl)-2-(2-methylbenzyl)cyclopentane-1,3-dione
SpectraBase Compound ID DN4tn8AysyK
InChI InChI=1S/C16H19N3O2/c1-12-5-2-3-6-13(12)11-16(9-4-10-18-19-17)14(20)7-8-15(16)21/h2-3,5-6H,4,7-11H2,1H3
InChIKey ZUHBLWBYQAXCIX-UHFFFAOYSA-N
Mol Weight 285.35 g/mol
Molecular Formula C16H19N3O2
Exact Mass 285.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dhNew2oHyT
Name 2-(3-azidopropyl)-2-(2-methylbenzyl)cyclopentane-1,3-dione
Appearance Yellow oil
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Exact Mass 285.147726862 u
Formula C16H19N3O2
InChI InChI=1S/C16H19N3O2/c1-12-5-2-3-6-13(12)11-16(9-4-10-18-19-17)14(20)7-8-15(16)21/h2-3,5-6H,4,7-11H2,1H3
InChIKey ZUHBLWBYQAXCIX-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Quality 77
SMILES C1(C(CCC1=O)=O)(CCCN=[N+]=[N-])CC1=C(C=CC=C1)C
SPLASH splash10-0udi-0900000000-fe1a5c5560f004ff0cfe
Source of Spectrum ACI-60-SM40-3c (DOI: 10.1002/anie.202107909)
Wiley ID 1891366