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Scopolamine HBr monohydrate
SpectraBase Compound ID AAXPoA2JEVp
InChI InChI=1S/C17H21NO4.BrH.H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;/h2-6,11-16,19H,7-9H2,1H3;1H;1H2/t11-,12-,13-,14+,15-,16+;;/m1../s1
InChIKey UXOOBDDSNJVVBU-HXNADDDPSA-N
Mol Weight 402.285 g/mol
Molecular Formula C17H24BrNO5
Exact Mass 401.083786 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID COoeX5Lf7nL
Name Scopolamine HBr monohydrate
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01715
Lot Number 218
CAS Registry Number 114-49-8 (anhydrous)
Compound Type Pure
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24BrNO5
InChI InChI=1S/C17H21NO4.BrH.H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;/h2-6,11-16,19H,7-9H2,1H3;1H;1H2/t11-,12-,13-,14+,15-,16+;;/m1../s1
InChIKey UXOOBDDSNJVVBU-HXNADDDPSA-N
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd: YAG
Raman Laser Wavelength 1064
Sadtler IR Number DW0512
Source of Spectrum Forensic Spectral Research
Synonyms alpha-(Hydroxymethyl)benzeneacetic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, (7(S)-(1alpha,2beta,4beta,5alpha,7beta))-
Technique FT-Raman