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2-(3-azidopropyl)-2-(4-methylbenzyl)cyclopentane-1,3-dione
SpectraBase Compound ID DO1TViXvfJ9
InChI InChI=1S/C16H19N3O2/c1-12-3-5-13(6-4-12)11-16(9-2-10-18-19-17)14(20)7-8-15(16)21/h3-6H,2,7-11H2,1H3
InChIKey NQOVFSDHONIGKM-UHFFFAOYSA-N
Mol Weight 285.35 g/mol
Molecular Formula C16H19N3O2
Exact Mass 285.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRyD5cCnX1T
Name 2-(3-azidopropyl)-2-(4-methylbenzyl)cyclopentane-1,3-dione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.147726862 u
Formula C16H19N3O2
InChI InChI=1S/C16H19N3O2/c1-12-3-5-13(6-4-12)11-16(9-2-10-18-19-17)14(20)7-8-15(16)21/h3-6H,2,7-11H2,1H3
InChIKey NQOVFSDHONIGKM-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Quality 111
SMILES C1(C(CCC1=O)=O)(CCCN=[N+]=[N-])CC1=CC=C(C=C1)C
SPLASH splash10-0uk9-4900000000-8ca9b09ee6546d386e46
Source of Spectrum ACI-60-SM40-3b (DOI: 10.1002/anie.202107909)
Wiley ID 1891365