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2-(3-azidopropyl)-2-(but-2-yn-1-yl)cyclopentane-1,3-dione
SpectraBase Compound ID I2qNs06voyx
InChI InChI=1S/C12H15N3O2/c1-2-3-7-12(8-4-9-14-15-13)10(16)5-6-11(12)17/h4-9H2,1H3
InChIKey GGXQMFLJNJTRRW-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C12H15N3O2
Exact Mass 233.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70JFdJoqiTs
Name 2-(3-azidopropyl)-2-(but-2-yn-1-yl)cyclopentane-1,3-dione
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.116426733 u
Formula C12H15N3O2
InChI InChI=1S/C12H15N3O2/c1-2-3-7-12(8-4-9-14-15-13)10(16)5-6-11(12)17/h4-9H2,1H3
InChIKey GGXQMFLJNJTRRW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 233.271 g/mol
Quality 115
SMILES C1(C(CCC1=O)=O)(CCCN=[N+]=[N-])CC#CC
SPLASH splash10-0uk9-3900000000-99afaa330cc7ac3d8e97
Source of Spectrum ACI-60-SM46-3r (DOI: 10.1002/anie.202107909)
Wiley ID 1891380