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(1S,2R,5S,8aS)-1,2-Dihydroxy-5-phenyl-1,2,3,5,8,8a-hexahydroindolizinium chloride

View entire compound with spectra: 1 MS (GC)

(1S,2R,5S,8aS)-1,2-Dihydroxy-5-phenyl-1,2,3,5,8,8a-hexahydroindolizinium chloride
SpectraBase Compound ID 18U6p6Iif9p
InChI InChI=1S/C14H17NO2.ClH/c16-13-9-15-11(10-5-2-1-3-6-10)7-4-8-12(15)14(13)17;/h1-7,11-14,16-17H,8-9H2;1H/t11-,12-,13+,14-;/m0./s1
InChIKey ROZPWITWEJUUPB-QVYXHAGSSA-N
Mol Weight 267.76 g/mol
Molecular Formula C14H18ClNO2
Exact Mass 267.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cs1JTUKLsu
Name (1S,2R,5S,8aS)-1,2-Dihydroxy-5-phenyl-1,2,3,5,8,8a-hexahydroindolizinium chloride
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.102606522 u
Formula C14H18ClNO2
InChI InChI=1S/C14H17NO2.ClH/c16-13-9-15-11(10-5-2-1-3-6-10)7-4-8-12(15)14(13)17;/h1-7,11-14,16-17H,8-9H2;1H/t11-,12-,13+,14-;/m0./s1
InChIKey ROZPWITWEJUUPB-QVYXHAGSSA-N
Instrument Name QMD 1000 Carlo Erba
Ionization Type EI
Literature Reference DOI 10.1186/1860-5397-3-44
Optical Rotation [a]D25 = -152 (c = 0.32, CH3OH).
Quality 113
SMILES [Cl-].[NH+]12[C@@](C=CC[C@]1([C@@]([C@@](C2)(O)[H])(O)[H])[H])(C1=CC=CC=C1)[H]
SPLASH splash10-001i-0920000000-c05cdb27fab13c2fdffc
Source of Spectrum BJO-3-SM11-22 (DOI: 10.1186/1860-5397-3-44)
Wiley ID 1908981