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(2RS,3SR)-3-(1'-Azabicyclo[2.2.2]oct-2'-en-3'-yl)-2-methyl-3-(phenylthio)propyl benzoate
SpectraBase Compound ID AfBB4yhP4V4
InChI InChI=1S/C24H27NO2S/c1-18(17-27-24(26)20-8-4-2-5-9-20)23(28-21-10-6-3-7-11-21)22-16-25-14-12-19(22)13-15-25/h2-11,16,18-19,23H,12-15,17H2,1H3/t18-,23+/m0/s1
InChIKey CJUSRCYINAGTGN-FDDCHVKYSA-N
Mol Weight 393.55 g/mol
Molecular Formula C24H27NO2S
Exact Mass 393.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNM6X7w4elQ
Name (2RS,3SR)-3-(1'-Azabicyclo[2.2.2]oct-2'-en-3'-yl)-2-methyl-3-(phenylthio)propyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO2S
InChI InChI=1S/C24H27NO2S/c1-18(17-27-24(26)20-8-4-2-5-9-20)23(28-21-10-6-3-7-11-21)22-16-25-14-12-19(22)13-15-25/h2-11,16,18-19,23H,12-15,17H2,1H3/t18-,23+/m0/s1
InChIKey CJUSRCYINAGTGN-FDDCHVKYSA-N
Molecular Weight 393.545 g/mol
SMILES C1([C@](Sc2ccccc2)([C@](COC(=O)c2ccccc2)(C)[H])[H])=CN2CCC1CC2
SPLASH splash10-0a4i-0920000000-bc218324e81fa6de6732
Source of Spectrum KC-1992-2307-32
Synonyms (2S,3R)-3-(1'-Azabicyclo[2.2.2]oct-2'-en-3'-yl)-2-methyl-3-(phenylthio)propyl benzoate (2S,3R)-3-(1-azabicyclo[2.2.2]oct-2-en-3-yl)-2-methyl-3-(phenylsulfanyl)propyl benzoate
Wiley ID 776803