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2-(3-azidopropyl)-2-(cyclopropylmethyl)cyclopentane-1,3-dione
SpectraBase Compound ID 6CF9grzG894
InChI InChI=1S/C12H17N3O2/c13-15-14-7-1-6-12(8-9-2-3-9)10(16)4-5-11(12)17/h9H,1-8H2
InChIKey KOQNALSKKGVTBR-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C12H17N3O2
Exact Mass 235.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ijb6Ek53NXU
Name 2-(3-azidopropyl)-2-(cyclopropylmethyl)cyclopentane-1,3-dione
Appearance Yellow oil
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Exact Mass 235.132076797 u
Formula C12H17N3O2
InChI InChI=1S/C12H17N3O2/c13-15-14-7-1-6-12(8-9-2-3-9)10(16)4-5-11(12)17/h9H,1-8H2
InChIKey KOQNALSKKGVTBR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 235.287 g/mol
Quality 181
SMILES C1(C(CCC1=O)=O)(CCCN=[N+]=[N-])CC1CC1
SPLASH splash10-05fr-5900000000-e8b12add21314bf34165
Source of Spectrum ACI-60-SM44-3n (DOI: 10.1002/anie.202107909)
Wiley ID 1891376