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1H-Pyrrolizin-1-ol, hexahydro-2-[(phenylmethyl)thio]-, (1.alpha.,2.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 7ZZ1UKKpwRs
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-/m0/s1
InChIKey CTLBKQIUEFCABE-IHRRRGAJSA-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 BxQKw1z5aKX
Name 1H-Pyrrolizin-1-ol, hexahydro-2-[(phenylmethyl)thio]-, (1.alpha.,2.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 78719-93-4
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-/m0/s1
InChIKey CTLBKQIUEFCABE-IHRRRGAJSA-N
Molecular Weight 249.372 g/mol
SMILES O[C@]1([C@]2(N(C[C@@]1(SCc1ccccc1)[H])CCC2)[H])[H]
SPLASH splash10-00b9-9600000000-eb9c7247493ab0123e2d
Source of Spectrum I-59-1103-0
Synonyms (1S,2S,7aS)-2-(benzylsulfanyl)hexahydro-1H-pyrrolo[1,2-a]pyrrol-1-ol 1.alpha.-hydroxy-2.beta.-thiobenzylpyrrolizidine
Wiley ID 1252204