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2-[[(2S,5S)-5-(2-naphthalenyl)-2-oxolanyl]methylthio]-1-oxidopyridin-1-ium

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2-[[(2S,5S)-5-(2-naphthalenyl)-2-oxolanyl]methylthio]-1-oxidopyridin-1-ium
SpectraBase Compound ID 6dxTXbXghX
InChI InChI=1S/C20H19NO2S/c22-21-12-4-3-7-20(21)24-14-18-10-11-19(23-18)17-9-8-15-5-1-2-6-16(15)13-17/h1-9,12-13,18-19H,10-11,14H2/t18-,19-/m0/s1
InChIKey CUYKTEWTDRRORS-OALUTQOASA-N
Mol Weight 337.44 g/mol
Molecular Formula C20H19NO2S
Exact Mass 337.11365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6UlOmh8xH6
Name 2-[[(2S,5S)-5-(2-naphthalenyl)-2-oxolanyl]methylthio]-1-oxidopyridin-1-ium
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.113650028 u
Formula C20H19NO2S
InChI InChI=1S/C20H19NO2S/c22-21-12-4-3-7-20(21)24-14-18-10-11-19(23-18)17-9-8-15-5-1-2-6-16(15)13-17/h1-9,12-13,18-19H,10-11,14H2/t18-,19-/m0/s1
InChIKey CUYKTEWTDRRORS-OALUTQOASA-N
Molecular Weight 337.437 g/mol
SMILES C1(=[N+](C=CC=C1)[O-])SC[C@]1(O[C@](C=2C=C3C=CC=CC3=CC2)(CC1)[H])[H]