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25B-Nbome hydrochloride

View entire compound with spectra: 1 Raman

25B-Nbome hydrochloride
SpectraBase Compound ID IG1oDZIcO2b
InChI InChI=1S/C18H22BrNO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H
InChIKey HUHVUTZPPOFALF-UHFFFAOYSA-N
Mol Weight 416.74 g/mol
Molecular Formula C18H23BrClNO3
Exact Mass 415.054984 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8VSej95dlXn
Name 25B-Nbome hydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 415.054984302 u
Formula C18H23BrClNO3
InChI InChI=1S/C18H22BrNO3.ClH/c1-21-16-7-5-4-6-14(16)12-20-9-8-13-10-18(23-3)15(19)11-17(13)22-2;/h4-7,10-11,20H,8-9,12H2,1-3H3;1H
InChIKey HUHVUTZPPOFALF-UHFFFAOYSA-N
Molecular Weight 416.743 g/mol
SMILES Cl.N(CCC1=CC(=C(C=C1OC)Br)OC)CC=1C(=CC=CC1)OC
Spectrum/Structure Validation Score (Raman) 0.859951