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Tribo-enzoyl-1-ethylthio-L-arabinopyranose

View entire compound with spectra: 1 NMR, and 1 FTIR

Tribo-enzoyl-1-ethylthio-L-arabinopyranose
SpectraBase Compound ID L0xtThIEg7F
InChI InChI=1S/C28H26O7S/c1-2-36-28-24(35-27(31)21-16-10-5-11-17-21)23(34-26(30)20-14-8-4-9-15-20)22(18-32-28)33-25(29)19-12-6-3-7-13-19/h3-17,22-24,28H,2,18H2,1H3/t22-,23-,24+,28?/m0/s1
InChIKey JGUKQTIDXLDKQH-BVECQHHBSA-N
Mol Weight 506.57 g/mol
Molecular Formula C28H26O7S
Exact Mass 506.139924 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3WtzUHp7Fh9
Name Tribo-enzoyl-1-ethylthio-L-arabinopyranose
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.139924344 u
Formula C28H26O7S
InChI InChI=1S/C28H26O7S/c1-2-36-28-24(35-27(31)21-16-10-5-11-17-21)23(34-26(30)20-14-8-4-9-15-20)22(18-32-28)33-25(29)19-12-6-3-7-13-19/h3-17,22-24,28H,2,18H2,1H3/t22-,23-,24+,28?/m0/s1
InChIKey JGUKQTIDXLDKQH-BVECQHHBSA-N
Molecular Weight 506.569 g/mol
SMILES [C@]1([C@](COC([C@@]1(OC(=O)C=1C=CC=CC1)[H])SCC)(OC(C1=CC=CC=C1)=O)[H])(OC(=O)C=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880193