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methyl 4-((1-(3-azidopropyl)-2,5-dioxocyclopentyl)methyl)benzoate
SpectraBase Compound ID 6NeUqjaOolw
InChI InChI=1S/C17H19N3O4/c1-24-16(23)13-5-3-12(4-6-13)11-17(9-2-10-19-20-18)14(21)7-8-15(17)22/h3-6H,2,7-11H2,1H3
InChIKey IOHWPTFDVBUHIC-UHFFFAOYSA-N
Mol Weight 329.36 g/mol
Molecular Formula C17H19N3O4
Exact Mass 329.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bIeEHX8Lge
Name methyl 4-((1-(3-azidopropyl)-2,5-dioxocyclopentyl)methyl)benzoate
Appearance White solid
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Exact Mass 329.137556100 u
Formula C17H19N3O4
InChI InChI=1S/C17H19N3O4/c1-24-16(23)13-5-3-12(4-6-13)11-17(9-2-10-19-20-18)14(21)7-8-15(17)22/h3-6H,2,7-11H2,1H3
InChIKey IOHWPTFDVBUHIC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMSQP2010SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.202107909
Molecular Weight 329.356 g/mol
Quality 150
SMILES C1(C(CCC1=O)=O)(CCCN=[N+]=[N-])CC1=CC=C(C=C1)C(OC)=O
SPLASH splash10-0zmr-9600000000-c313c55aa3cc7fd1d7ae
Source of Spectrum ACI-60-SM42-3g (DOI: 10.1002/anie.202107909)
Wiley ID 1891370