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5-(azidomethyl)-6-bromobenzo[d][1,3]dioxole
SpectraBase Compound ID 3L5Dg0r4Bm4
InChI InChI=1S/C8H6BrN3O2/c9-6-2-8-7(13-4-14-8)1-5(6)3-11-12-10/h1-2H,3-4H2
InChIKey DVMKOSDUOXROBE-UHFFFAOYSA-N
Mol Weight 256.06 g/mol
Molecular Formula C8H6BrN3O2
Exact Mass 254.964339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMXb6SgAtYf
Name 5-(azidomethyl)-6-bromobenzo[d][1,3]dioxole
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6BrN3O2
InChI InChI=1S/C8H6BrN3O2/c9-6-2-8-7(13-4-14-8)1-5(6)3-11-12-10/h1-2H,3-4H2
InChIKey DVMKOSDUOXROBE-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.202002528
Molecular Weight 256.059 g/mol
SMILES C1Oc2c(O1)cc(c(c2)Br)CN=[N+]=[N-]
SPLASH splash10-0400-2190000000-f279068c089f56a5e087
Source of Spectrum ACI-59-SM11-11-2
Thin-Layer Chromatography Rf = 0.54 (Hexane/EtOAc, 10:1)
Wiley ID 1857896