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2-Bromophenethylamine I-but

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Bromophenethylamine I-but
SpectraBase Compound ID 4zlEWAAspvI
InChI InChI=1S/C12H16BrNO/c1-9(2)12(15)14-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKey TYESAXRPDZNQKX-UHFFFAOYSA-N
Mol Weight 270.17 g/mol
Molecular Formula C12H16BrNO
Exact Mass 269.041527 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5u9RDJDkNoQ
Name 2-Bromophenethylamine I-but
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.041527138 u
Formula C12H16BrNO
InChI InChI=1S/C12H16BrNO/c1-9(2)12(15)14-8-7-10-5-3-4-6-11(10)13/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKey TYESAXRPDZNQKX-UHFFFAOYSA-N
Molecular Weight 270.170 g/mol
SMILES C=1(C(=CC=CC1)Br)CCNC(C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937516