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(5S*,SS*)-N-(tert-Butyloxycarbonyl)-5-[3',6'-dihydroxy-2-(p-nitrophenylsulfinyl)phenyl]pyrrol-2(5H)-one
SpectraBase Compound ID GiiKwq0ziXU
InChI InChI=1S/C21H20N2O8S/c1-21(2,3)31-20(27)22-14(8-11-17(22)26)18-15(24)9-10-16(25)19(18)32(30)13-6-4-12(5-7-13)23(28)29/h4-11,14,24-25H,1-3H3/t14-,32?/m0/s1
InChIKey VEVXPTKNBGLYMC-KFKHOZABSA-N
Mol Weight 460.46 g/mol
Molecular Formula C21H20N2O8S
Exact Mass 460.094037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgZ3iD2KLgM
Name (5S*,SS*)-N-(tert-Butyloxycarbonyl)-5-[3',6'-dihydroxy-2-(p-nitrophenylsulfinyl)phenyl]pyrrol-2(5H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O8S
InChI InChI=1S/C21H20N2O8S/c1-21(2,3)31-20(27)22-14(8-11-17(22)26)18-15(24)9-10-16(25)19(18)32(30)13-6-4-12(5-7-13)23(28)29/h4-11,14,24-25H,1-3H3/t14-,32?/m0/s1
InChIKey VEVXPTKNBGLYMC-KFKHOZABSA-N
Molecular Weight 460.457 g/mol
SMILES Oc1c(c(c(cc1)O)[C@]1(N(C(OC(C)(C)C)=O)C(C=C1)=O)[H])S(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0a4i-0900000000-5b40aca1dc2f98e3c304
Source of Spectrum J-67-5643-3
Wiley ID 1570590