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2-(3-azidopropyl)-2-(4-methoxybenzyl)cyclohexane-1,3-dione
SpectraBase Compound ID G6GV9ZstFqc
InChI InChI=1S/C17H21N3O3/c1-23-14-8-6-13(7-9-14)12-17(10-3-11-19-20-18)15(21)4-2-5-16(17)22/h6-9H,2-5,10-12H2,1H3
InChIKey LDNXMRDKHVSQRG-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C17H21N3O3
Exact Mass 315.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62SoYp8386h
Name 2-(3-azidopropyl)-2-(4-methoxybenzyl)cyclohexane-1,3-dione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.158291545 u
Formula C17H21N3O3
InChI InChI=1S/C17H21N3O3/c1-23-14-8-6-13(7-9-14)12-17(10-3-11-19-20-18)15(21)4-2-5-16(17)22/h6-9H,2-5,10-12H2,1H3
InChIKey LDNXMRDKHVSQRG-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 315.373 g/mol
Quality 70
SMILES C1(C(C(CCC1)=O)(CCCN=[N+]=[N-])CC1=CC=C(C=C1)OC)=O
SPLASH splash10-014r-0930000000-06cd7bd7e15dd15a5e4e
Source of Spectrum ACI-60-SM33-1b (DOI: 10.1002/anie.202107909)
Wiley ID 1891338