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(1S*,5R*,7aS*)-5-Hydroxymethyl-7-phenylthio-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol
SpectraBase Compound ID 9XKSIGYOGSG
InChI InChI=1S/C14H17NO2S/c16-9-10-8-13(14-12(17)6-7-15(10)14)18-11-4-2-1-3-5-11/h1-5,8,10,12,14,16-17H,6-7,9H2/t10-,12+,14+/m1/s1
InChIKey WVIBUXVVBLRPOE-OSMZGAPFSA-N
Mol Weight 263.35 g/mol
Molecular Formula C14H17NO2S
Exact Mass 263.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bws5QSN81u
Name (1S*,5R*,7aS*)-5-Hydroxymethyl-7-phenylthio-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2S
InChI InChI=1S/C14H17NO2S/c16-9-10-8-13(14-12(17)6-7-15(10)14)18-11-4-2-1-3-5-11/h1-5,8,10,12,14,16-17H,6-7,9H2/t10-,12+,14+/m1/s1
InChIKey WVIBUXVVBLRPOE-OSMZGAPFSA-N
Molecular Weight 263.355 g/mol
SMILES O[C@]1(CCN2[C@@]1(C(=C[C@@]2(CO)[H])Sc1ccccc1)[H])[H]
SPLASH splash10-001i-0090000000-79395a1cee2fafecac2d
Source of Spectrum J-65-5790-23
Synonyms (1R*,5S*,7aR*)-5-Hydroxymethyl-7-phenylthio-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol (1S,5R,7aS)-5-(hydroxymethyl)-7-(phenylsulfanyl)-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-1-ol (1S,5R,8S)-5-(hydroxymethyl)-7-(phenylthio)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol (1S,5R,8S)-5-(hydroxymethyl)-7-phenylsulfanyl-2,3,5,8-tetrahydro-1H-pyrrolizin-1-ol
Wiley ID 1533065