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1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), SULFATE (2:1) (SALT), DIHYDRATE

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1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), SULFATE (2:1) (SALT), DIHYDRATE
SpectraBase Compound ID 25iAqsYu92j
InChI InChI=1S/2C17H23NO3.H2O4S.2H2O/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);2*1H2/t2*13-,14+,15+,16-;;;/m11.../s1
InChIKey BXSVDJUWKSRQMD-ITMJLNKNSA-N
Mol Weight 712.85 g/mol
Molecular Formula C34H52N2O12S
Exact Mass 712.324096 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9YSaFZq92uv
Name 1alphaH,5alphaH-TROPAN-3alpha-OL, (-)-TROPATE (ESTER), SULFATE (2:1) (SALT), DIHYDRATE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Catalog Number H 453
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H52N2O12S
InChI InChI=1S/2C17H23NO3.H2O4S.2H2O/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);2*1H2/t2*13-,14+,15+,16-;;;/m11.../s1
InChIKey BXSVDJUWKSRQMD-ITMJLNKNSA-N
Molecular Weight 712.852000
Synonyms TROPAN-3A-OL, 1AH,5AH-, /MINUS/- TROPATE /ESTER/, SULFATE /2 TO 1/ /SALT/, DIHYDRATE HYOSCYAMINE SULFATE, DIHYDRATE
Technique KBr WAFER