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1H-Pyrrolizin-1-ol, hexahydro-2-[(phenylmethyl)thio]-, acetate (ester), (1.alpha.,2.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 5gRRWaJOiIW
InChI InChI=1S/C16H21NO2S/c1-12(18)19-16-14-8-5-9-17(14)10-15(16)20-11-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-11H2,1H3/t14-,15-,16-/m0/s1
InChIKey AMJOKGAHDBUDOS-JYJNAYRXSA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3Ca2071Y6M
Name 1H-Pyrrolizin-1-ol, hexahydro-2-[(phenylmethyl)thio]-, acetate (ester), (1.alpha.,2.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 78719-95-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-12(18)19-16-14-8-5-9-17(14)10-15(16)20-11-13-6-3-2-4-7-13/h2-4,6-7,14-16H,5,8-11H2,1H3/t14-,15-,16-/m0/s1
InChIKey AMJOKGAHDBUDOS-JYJNAYRXSA-N
Molecular Weight 291.409 g/mol
SMILES [C@@]12(N(C[C@@]([C@]2(OC(=O)C)[H])(SCc2ccccc2)[H])CCC1)[H]
SPLASH splash10-014l-9500000000-3d082346fe5b96e8272b
Source of Spectrum I-59-1103-0
Synonyms (1S,2S,7aS)-2-(benzylsulfanyl)hexahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl acetate 1.alpha.-acetoxy-2.beta.-thiobenzylpyrrolizidine 1.beta.-acetoxy-2.beta.-thiobenzylpyrrolizidine
Wiley ID 1294530