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5-(azidomethyl)-6-butylbenzo[d][1,3]dioxole
SpectraBase Compound ID JGRN13U3e5G
InChI InChI=1S/C12H15N3O2/c1-2-3-4-9-5-11-12(17-8-16-11)6-10(9)7-14-15-13/h5-6H,2-4,7-8H2,1H3
InChIKey VZFCNIJIMRYUIT-UHFFFAOYSA-N
Mol Weight 233.27 g/mol
Molecular Formula C12H15N3O2
Exact Mass 233.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HACR4QSUZsc
Name 5-(azidomethyl)-6-butylbenzo[d][1,3]dioxole
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N3O2
InChI InChI=1S/C12H15N3O2/c1-2-3-4-9-5-11-12(17-8-16-11)6-10(9)7-14-15-13/h5-6H,2-4,7-8H2,1H3
InChIKey VZFCNIJIMRYUIT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 233.271 g/mol
Reported Formula C12H15N3O2
SMILES c12cc(c(cc2OCO1)CN=[N+]=[N-])CCCC
SPLASH splash10-000t-1920000000-26262deab86e52aa75fa
Source of Spectrum ACI-59-SM19-6i
Thin-Layer Chromatography Rf = 0.25 (Hexane/EtOAc, 20:1)
Wiley ID 1857924