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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K6mkQnHc8Bl
Name 1alphaH,5alphaH-TROPAN-3alpha-OL (+/-)-TROPATE (ESTER), SULFATE (2:1)
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
CAS Registry Number 55-48-1
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46N2O2 + H2SO4 + H2O
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 BRUKER AC-300
Melting Point 190-194C
Molecular Weight 694.83
Solvent D2O; Reference=TSP; Temperature 297K