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(1S,2S)-1-Phenyl-2-phthalimido-3-mercapto-1-propanol 3-acetate
SpectraBase Compound ID 23qAbecaODT
InChI InChI=1S/C19H17NO4S/c1-12(21)25-11-16(17(22)13-7-3-2-4-8-13)20-18(23)14-9-5-6-10-15(14)19(20)24/h2-10,16-17,22H,11H2,1H3/t16-,17+/m1/s1
InChIKey SRPBMQHILADJAJ-SJORKVTESA-N
Mol Weight 355.41 g/mol
Molecular Formula C19H17NO4S
Exact Mass 355.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Df1G3GKni6r
Name (1S,2S)-1-Phenyl-2-phthalimido-3-mercapto-1-propanol 3-acetate
Alternate Name(s) S-[(2S,3S)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxy-3-phenylpropyl]ethanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO4S
InChI InChI=1S/C19H17NO4S/c1-12(21)25-11-16(17(22)13-7-3-2-4-8-13)20-18(23)14-9-5-6-10-15(14)19(20)24/h2-10,16-17,22H,11H2,1H3/t16-,17+/m1/s1
InChIKey SRPBMQHILADJAJ-SJORKVTESA-N
Molecular Weight 355.408 g/mol
SMILES O[C@]([C@](N1C(c2ccccc2C1=O)=O)(CSC(=O)C)[H])(c1ccccc1)[H]
SPLASH splash10-00di-1940000000-bd7c7bfbed7f3ba12f81
Source of Spectrum F-53-10620-3
Wiley ID 803099