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2C-B bzp Dihydrochloride

View entire compound with spectra: 1 Raman

2C-B bzp Dihydrochloride
SpectraBase Compound ID LEauY0pc8G1
InChI InChI=1S/C13H19BrN2O2.2ClH/c1-17-12-8-11(14)13(18-2)7-10(12)9-16-5-3-15-4-6-16;;/h7-8,15H,3-6,9H2,1-2H3;2*1H
InChIKey FNDWKKCHLQJPIL-UHFFFAOYSA-N
Mol Weight 388.13 g/mol
Molecular Formula C13H21BrCl2N2O2
Exact Mass 386.016346 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GWeho0iHtx8
Name 2C-B bzp Dihydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.016346322 u
Formula C13H21BrCl2N2O2
InChI InChI=1S/C13H19BrN2O2.2ClH/c1-17-12-8-11(14)13(18-2)7-10(12)9-16-5-3-15-4-6-16;;/h7-8,15H,3-6,9H2,1-2H3;2*1H
InChIKey FNDWKKCHLQJPIL-UHFFFAOYSA-N
Molecular Weight 388.133 g/mol
SMILES Cl.Cl.N1CCN(CC1)CC1=CC(=C(C=C1OC)Br)OC
Spectrum/Structure Validation Score (Raman) 0.882798