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1aH,5aH-tropan-3α-ol, mandelate(ester), 8-oxide, hydrobromide

View entire compound with spectra: 1 NMR, and 1 FTIR

1aH,5aH-tropan-3α-ol, mandelate(ester), 8-oxide, hydrobromide
SpectraBase Compound ID DNy3NCIfixp
InChI InChI=1S/C16H21NO4.BrH/c1-17(20)12-7-8-13(17)10-14(9-12)21-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H
InChIKey IYBRMJHUKXRUJL-UHFFFAOYSA-N
Mol Weight 372.259 g/mol
Molecular Formula C16H22BrNO4
Exact Mass 371.073221 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9ibtwWdjSOr
Name 1aH,5aH-TROPAN-3alpha-OL, MANDELATE (ESTER), 8-OXIDE, HYDROBROMIDE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22BrNO4
InChI InChI=1S/C16H21NO4.BrH/c1-17(20)12-7-8-13(17)10-14(9-12)21-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H
InChIKey IYBRMJHUKXRUJL-UHFFFAOYSA-N
Melting Point 227C (dec.)
Molecular Weight 372.258980
Synonyms TROPAN-3A-OL, 1AH,5AH-, MANDELATE /ESTER/, 8-OXIDE, HYDROBROMIDE HOMATROPINE, N-OXIDE, HYDROBROMIDE
Technique KBr WAFER