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1C-B
SpectraBase Compound ID 52ydzDwbgO5
InChI InChI=1S/C9H12BrNO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5,11H2,1-2H3
InChIKey QLPHYDUVAFPRGJ-UHFFFAOYSA-N
Mol Weight 246.1 g/mol
Molecular Formula C9H12BrNO2
Exact Mass 245.005142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lsBfRdTed6
Name 1C-B
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 245.005141628 u
Formula C9H12BrNO2
InChI InChI=1S/C9H12BrNO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5,11H2,1-2H3
InChIKey QLPHYDUVAFPRGJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 246.104 g/mol
Nominal Mass 245 u
Quality 909
Retention Index 1757
SMILES NCC1=C(C=C(C(=C1)OC)Br)OC
SPLASH splash10-02u1-4390000000-a45ee5db187701116658
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Bromo-2,5-dimethoxybenzylamine
Technique GC/MS
Wiley ID DD2024_019543