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Ambroxol

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

Ambroxol
SpectraBase Compound ID 9JEOPUBbhBq
InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
InChIKey JBDGDEWWOUBZPM-XYPYZODXSA-N
Mol Weight 378.11 g/mol
Molecular Formula C13H18Br2N2O
Exact Mass 375.978589 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID IZo63SWc8ei
Name Ambroxol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.978589207 u
Formula C13H18Br2N2O
InChI InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-
InChIKey JBDGDEWWOUBZPM-XYPYZODXSA-N
Molecular Weight 378.108 g/mol
SMILES N(CC=1C(=C(C=C(C1)Br)Br)N)[C@@]1(CC[C@](CC1)(O)[H])[H]
Spectrum/Structure Validation Score (Raman) 0.839875