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t-Butyl (Z)-2-[(benzyloxy)carbonylamino]-3-{ 1'-[(4"-methylphenyl)sulfonyl]-1H-pyrrol-2'-yl}propanoate
SpectraBase Compound ID I6EFb42TMQ8
InChI InChI=1S/C26H30N2O6S/c1-19-12-14-22(15-13-19)35(31,32)28-16-8-11-21(28)17-23(24(29)34-26(2,3)4)27-25(30)33-18-20-9-6-5-7-10-20/h5-16,23H,17-18H2,1-4H3,(H,27,30)
InChIKey NVCCQNQUGXTXIX-UHFFFAOYSA-N
Mol Weight 498.59 g/mol
Molecular Formula C26H30N2O6S
Exact Mass 498.182458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 167lcBa6VAv
Name t-Butyl (Z)-2-[(benzyloxy)carbonylamino]-3-{ 1'-[(4"-methylphenyl)sulfonyl]-1H-pyrrol-2'-yl}propanoate
Alternate Name(s) tert-Butyl 2-{[(benzyloxy)carbonyl]amino}-3-{1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-2-yl}propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O6S
InChI InChI=1S/C26H30N2O6S/c1-19-12-14-22(15-13-19)35(31,32)28-16-8-11-21(28)17-23(24(29)34-26(2,3)4)27-25(30)33-18-20-9-6-5-7-10-20/h5-16,23H,17-18H2,1-4H3,(H,27,30)
InChIKey NVCCQNQUGXTXIX-UHFFFAOYSA-N
Molecular Weight 498.594 g/mol
SMILES N(C(=O)OCc1ccccc1)C(C(OC(C)(C)C)=O)Cc1[n](S(c2ccc(cc2)C)(=O)=O)ccc1
SPLASH splash10-0006-9010000000-c98ea9531f177521e513
Source of Spectrum H-77-1407-0
Wiley ID 1398529