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2-(3-azidopropyl)-2-(furan-2-ylmethyl)cyclohexane-1,3-dione
SpectraBase Compound ID FSa6gLfE4W5
InChI InChI=1S/C14H17N3O3/c15-17-16-8-3-7-14(10-11-4-2-9-20-11)12(18)5-1-6-13(14)19/h2,4,9H,1,3,5-8,10H2
InChIKey NGKZOPJCHWNGTD-UHFFFAOYSA-N
Mol Weight 275.31 g/mol
Molecular Formula C14H17N3O3
Exact Mass 275.126991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbBSvrllVn5
Name 2-(3-azidopropyl)-2-(furan-2-ylmethyl)cyclohexane-1,3-dione
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.126991416 u
Formula C14H17N3O3
InChI InChI=1S/C14H17N3O3/c15-17-16-8-3-7-14(10-11-4-2-9-20-11)12(18)5-1-6-13(14)19/h2,4,9H,1,3,5-8,10H2
InChIKey NGKZOPJCHWNGTD-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Quality 85
SMILES C1(C(C(CCC1)=O)(CCCN=[N+]=[N-])CC=1OC=CC1)=O
SPLASH splash10-01b9-0900000000-4b769ec6777719c7b93f
Source of Spectrum ACI-60-SM36-1j (DOI: 10.1002/anie.202107909)
Wiley ID 1891344