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4-Bromo-1-(cyclopentylmethyl)-1H-benzotriazole
SpectraBase Compound ID Br48cVIeoyh
InChI InChI=1S/C12H14BrN3/c13-10-6-3-7-11-12(10)14-15-16(11)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKey DSBCAXNWINGDFR-UHFFFAOYSA-N
Mol Weight 280.17 g/mol
Molecular Formula C12H14BrN3
Exact Mass 279.03711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8i3LjigpZ1K
Name 4-Bromo-1-(cyclopentylmethyl)-1H-benzotriazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14BrN3
InChI InChI=1S/C12H14BrN3/c13-10-6-3-7-11-12(10)14-15-16(11)8-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKey DSBCAXNWINGDFR-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 XP
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.jmedchem.8b00161
Molecular Weight 280.169 g/mol
SMILES c1cc(c2nn[n](CC3CCCC3)c2c1)Br
SPLASH splash10-03gi-6690000000-71191662db829f4f1b7e
Source of Spectrum AF-62-243-43
Wiley ID 1871939