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2-(2-(azidomethyl)benzyl)-2-methylcyclohexane-1,3-dione
SpectraBase Compound ID JRU17LCrVpn
InChI InChI=1S/C15H17N3O2/c1-15(13(19)7-4-8-14(15)20)9-11-5-2-3-6-12(11)10-17-18-16/h2-3,5-6H,4,7-10H2,1H3
InChIKey BXPQJNXNOGPNBI-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C15H17N3O2
Exact Mass 271.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQiNxvBvNwd
Name 2-(2-(azidomethyl)benzyl)-2-methylcyclohexane-1,3-dione
Appearance Yellow solid
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Exact Mass 271.132076797 u
Formula C15H17N3O2
InChI InChI=1S/C15H17N3O2/c1-15(13(19)7-4-8-14(15)20)9-11-5-2-3-6-12(11)10-17-18-16/h2-3,5-6H,4,7-10H2,1H3
InChIKey BXPQJNXNOGPNBI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Quality 103
SMILES C1(C(C(CCC1)=O)(CC1=C(C=CC=C1)CN=[N+]=[N-])C)=O
SPLASH splash10-0fr5-0920000000-651acea393ca2d2bb78d
Source of Spectrum ACI-60-SM39-1q (DOI: 10.1002/anie.202107909)
Wiley ID 1891350