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3-(4-(Azidomethyl)benzyl)-2-methylbenzo[d]thiazol-3-iumbromide
SpectraBase Compound ID 66uF8IaKi3S
InChI InChI=1S/C16H15N4S.BrH/c1-12-20(15-4-2-3-5-16(15)21-12)11-14-8-6-13(7-9-14)10-18-19-17;/h2-9H,10-11H2,1H3;1H/q+1;/p-1
InChIKey NUMQAWVMQSRJRE-UHFFFAOYSA-M
Mol Weight 375.288 g/mol
Molecular Formula C16H15BrN4S
Exact Mass 374.020081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fe5Y8LRAX0N
Name 3-(4-(Azidomethyl)benzyl)-2-methylbenzo[d]thiazol-3-iumbromide
Appearance Grey solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15BrN4S
InChI InChI=1S/C16H15N4S.BrH/c1-12-20(15-4-2-3-5-16(15)21-12)11-14-8-6-13(7-9-14)10-18-19-17;/h2-9H,10-11H2,1H3;1H/q+1;/p-1
InChIKey NUMQAWVMQSRJRE-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Quality 255
SMILES C1=CC2=C(C=C1)[N+](=C(S2)C)CC1=CC=C(C=C1)CN=[N+]=[N-].[Br-]
SPLASH splash10-0002-3900000000-f48cf7d5de535f0f9ec2
Source of Spectrum QE-28-SM37-2h (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900735