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Atropine sulfate monohydrate

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 Raman

Atropine sulfate monohydrate
SpectraBase Compound ID 1hukSu07vsJ
InChI InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15+,16?;;
InChIKey JPKKQJKQTPNWTR-CHYDPLAESA-N
Mol Weight 694.837 g/mol
Molecular Formula C34H50N2O11S
Exact Mass 694.313532 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID FjNtDCi24nq
Name Atropine sulfate monohydrate
Source of Sample Alltech Associates, Inc., Grace Davison Discovery Sciences
Catalog Number 01840
Lot Number 1602
Accessory DurasamplIR II
CAS Registry Number 5908-99-6
Classification Anticholinergic
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H50N2O11S
InChI InChI=1S/2C17H23NO3.H2O4S.H2O/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4;/h2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4);1H2/t2*13-,14+,15+,16?;;
InChIKey JPKKQJKQTPNWTR-CHYDPLAESA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Benzeneacetic acid, alpha-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, endo-(+-)-, sulfate (2:1) (salt), monohydrate
Technique ATR-Neat (DuraSamplIR II)