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tropine, 8-oxide, monohydrate

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tropine, 8-oxide, monohydrate
SpectraBase Compound ID JpIiyw11Tcr
InChI InChI=1S/C8H15NO2.H2O/c1-9(11)6-2-3-7(9)5-8(10)4-6;/h6-8,10H,2-5H2,1H3;1H2/t6-,7+,8+,9?;
InChIKey LHRULWKQKSLEFY-HMRXPNCOSA-N
Mol Weight 175.23 g/mol
Molecular Formula C8H17NO3
Exact Mass 175.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID YlPMCrKHeK
Name 1alphaH,5alphaH-TROPAN-3alpha-OL, 8-OXIDE, MONOHYDRATE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO2 H2O
InChI InChI=1S/C8H15NO2.H2O/c1-9(11)6-2-3-7(9)5-8(10)4-6;/h6-8,10H,2-5H2,1H3;1H2/t6-,7+,8+,9?;
InChIKey LHRULWKQKSLEFY-HMRXPNCOSA-N
Melting Point 249C (dec.)
Molecular Weight 175.23
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms TROPINE, 8-OXIDE, MONOHYDRATE TROPAN-3A-OL, 1AH,5AH-, 8-OXIDE, MONOHYDRATE