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(7R,13S)-2,3,9,10-Tetrahydroxy-N-methyldibenzopyrrocolinium Bromide
SpectraBase Compound ID JRPfUXwOPyQ
InChI InChI=1S/C17H17NO4.BrH/c1-18-3-2-9-5-14(19)16(21)7-11(9)13(18)4-10-6-15(20)17(22)8-12(10)18;/h5-8,13H,2-4H2,1H3,(H3-,19,20,21,22);1H/t13-,18-;/m0./s1
InChIKey ILDDZMBKZRTGOD-ZYJMRSDMSA-N
Mol Weight 380.24 g/mol
Molecular Formula C17H18BrNO4
Exact Mass 379.041921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bStwGflw0
Name (7R,13S)-2,3,9,10-Tetrahydroxy-N-methyldibenzopyrrocolinium Bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18BrNO4
InChI InChI=1S/C17H17NO4.BrH/c1-18-3-2-9-5-14(19)16(21)7-11(9)13(18)4-10-6-15(20)17(22)8-12(10)18;/h5-8,13H,2-4H2,1H3,(H3-,19,20,21,22);1H/t13-,18-;/m0./s1
InChIKey ILDDZMBKZRTGOD-ZYJMRSDMSA-N
Molecular Weight 380.238 g/mol
SMILES [Br-].Oc1cc2[C@]3([N@+](c4cc(c(cc4C3)O)O)(CCc2cc1O)C)[H]
SPLASH splash10-000t-0290000000-2c24887d3e97f8b6929d
Source of Spectrum X3-59-82-4
Wiley ID 1606127