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1H-Pyrrolizin-1-ol, hexahydro-2-[(phenylmethyl)thio]-, (1.alpha.,2.beta.,7a.beta.)-(.+-.)-
SpectraBase Compound ID Mzz1Ay5ttJ
InChI InChI=1S/C14H19NOS/c16-14-12-7-4-8-15(12)9-13(14)17-10-11-5-2-1-3-6-11/h1-3,5-6,12-14,16H,4,7-10H2/t12-,13+,14+/m1/s1
InChIKey CTLBKQIUEFCABE-RDBSUJKOSA-N
Mol Weight 249.37 g/mol
Molecular Formula C14H19NOS
Exact Mass 249.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKHmguEz9e9
Name 1H-Pyrrolizin-1-ol, hexahydro-2-[(phenylmethyl)thio]-, (1.alpha.,2.beta.,7a.beta.)-(.+-.)-
CAS Registry Number 78719-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NOS
InChI InChI=1S/C14H19NOS/c16-14-12-7-4-8-15(12)9-13(14)17-10-11-5-2-1-3-6-11/h1-3,5-6,12-14,16H,4,7-10H2/t12-,13+,14+/m1/s1
InChIKey CTLBKQIUEFCABE-RDBSUJKOSA-N
Molecular Weight 249.372 g/mol
SMILES O[C@]1([C@@]2(N(C[C@@]1(SCc1ccccc1)[H])CCC2)[H])[H]
SPLASH splash10-00fr-9600000000-8cdb2a058e3454a0812c
Source of Spectrum I-59-1103-0
Synonyms (1S,2S,7aR)-2-(benzylsulfanyl)hexahydro-1H-pyrrolo[1,2-a]pyrrol-1-ol 1.beta.-hydroxy-2.alpha.-thiobenzylpyrrolizidine
Wiley ID 1252205