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2-(3-azidopropyl)-2-(2-nitrobenzyl)cyclopentane-1,3-dione
SpectraBase Compound ID Ch91GuUg55I
InChI InChI=1S/C15H16N4O4/c16-18-17-9-3-8-15(13(20)6-7-14(15)21)10-11-4-1-2-5-12(11)19(22)23/h1-2,4-5H,3,6-10H2
InChIKey PDAOWZYAHLZUJI-UHFFFAOYSA-N
Mol Weight 316.32 g/mol
Molecular Formula C15H16N4O4
Exact Mass 316.117155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KEmkC1fefS
Name 2-(3-azidopropyl)-2-(2-nitrobenzyl)cyclopentane-1,3-dione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.117155007 u
Formula C15H16N4O4
InChI InChI=1S/C15H16N4O4/c16-18-17-9-3-8-15(13(20)6-7-14(15)21)10-11-4-1-2-5-12(11)19(22)23/h1-2,4-5H,3,6-10H2
InChIKey PDAOWZYAHLZUJI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 316.317 g/mol
Quality 161
SMILES C1(C(CCC1=O)=O)(CCCN=[N+]=[N-])CC1=C(C=CC=C1)[N+]([O-])=O
SPLASH splash10-0kmr-9500000000-0586e4e87e6aa26f3e4f
Source of Spectrum ACI-60-SM42-3f (DOI: 10.1002/anie.202107909)
Wiley ID 1891369