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(5S,SS)-N-(tert-Butyloxycarbonyl)-5-[3',6'-dihydroxy-2-(p-tolylsulfinyl)phenyl]pyrrol-2(5H)-one
SpectraBase Compound ID 5OYIAYu6niP
InChI InChI=1S/C22H23NO6S/c1-13-5-7-14(8-6-13)30(28)20-17(25)11-10-16(24)19(20)15-9-12-18(26)23(15)21(27)29-22(2,3)4/h5-12,15,24-25H,1-4H3
InChIKey AAKJCTAMOKZQQO-UHFFFAOYSA-N
Mol Weight 429.49 g/mol
Molecular Formula C22H23NO6S
Exact Mass 429.124609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G5GjurX3ffO
Name (5S,SS)-N-(tert-Butyloxycarbonyl)-5-[3',6'-dihydroxy-2-(p-tolylsulfinyl)phenyl]pyrrol-2(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO6S
InChI InChI=1S/C22H23NO6S/c1-13-5-7-14(8-6-13)30(28)20-17(25)11-10-16(24)19(20)15-9-12-18(26)23(15)21(27)29-22(2,3)4/h5-12,15,24-25H,1-4H3
InChIKey AAKJCTAMOKZQQO-UHFFFAOYSA-N
Molecular Weight 429.487 g/mol
SMILES Oc1c(c(c(cc1)O)C1N(C(OC(C)(C)C)=O)C(C=C1)=O)[S@](c1ccc(cc1)C)=O
SPLASH splash10-0a4o-9002000000-e6ceff96e884863775fb
Source of Spectrum J-67-5642-4
Synonyms (5R,SS)-N-(tert-Butyloxycarbonyl)-5-[3',6'-dihydroxy-2-(p-tolylsulfinyl)phenyl]pyrrol-2(5H)-one
Wiley ID 1570591