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2-(3-azidopropyl)-2-(4-methoxybenzyl)cyclopentane-1,3-dione
SpectraBase Compound ID I3XqGELfolZ
InChI InChI=1S/C16H19N3O3/c1-22-13-5-3-12(4-6-13)11-16(9-2-10-18-19-17)14(20)7-8-15(16)21/h3-6H,2,7-11H2,1H3
InChIKey OMZQLYRBYZBGMS-UHFFFAOYSA-N
Mol Weight 301.35 g/mol
Molecular Formula C16H19N3O3
Exact Mass 301.142641 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4N50ePRZko
Name 2-(3-azidopropyl)-2-(4-methoxybenzyl)cyclopentane-1,3-dione
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.142641481 u
Formula C16H19N3O3
InChI InChI=1S/C16H19N3O3/c1-22-13-5-3-12(4-6-13)11-16(9-2-10-18-19-17)14(20)7-8-15(16)21/h3-6H,2,7-11H2,1H3
InChIKey OMZQLYRBYZBGMS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Quality 156
SMILES C1(C(CCC1=O)=O)(CCCN=[N+]=[N-])CC1=CC=C(C=C1)OC
SPLASH splash10-00di-5900000000-0219ce240474286bb428
Source of Spectrum ACI-60-SM41-3d (DOI: 10.1002/anie.202107909)
Wiley ID 1891367