1-Benzyl 4-Methyl 5-[(p-bromobenzenesulfonyl)amino]-2-[(t-butoxycaronyl)amino]-terephthalate

SpectraBase Compound ID	4c5vXxZEyvI
InChI	InChI=1S/C27H27BrN2O8S/c1-27(2,3)38-26(33)29-22-14-21(24(31)36-4)23(30-39(34,35)19-12-10-18(28)11-13-19)15-20(22)25(32)37-16-17-8-6-5-7-9-17/h5-15,30H,16H2,1-4H3,(H,29,33)
InChIKey	YJADRZNZXGRVAI-UHFFFAOYSA-N Google Search
Mol Weight	619.48 g/mol
Molecular Formula	C27H27BrN2O8S
Exact Mass	618.06715 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	AmMOSX2dC9x
Name	1-Benzyl 4-methyl 5-[(p-bromobenzenesulfonyl)amino]-2-[(T-butoxycaronyl)amino]-terephthalate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	618.067150003 u
Formula	C27H27BrN2O8S
InChI	InChI=1S/C27H27BrN2O8S/c1-27(2,3)38-26(33)29-22-14-21(24(31)36-4)23(30-39(34,35)19-12-10-18(28)11-13-19)15-20(22)25(32)37-16-17-8-6-5-7-9-17/h5-15,30H,16H2,1-4H3,(H,29,33)
InChIKey	YJADRZNZXGRVAI-UHFFFAOYSA-N
Molecular Weight	619.483 g/mol
SMILES	C1(NS(C2=CC=C(C=C2)Br)(=O)=O)=C(C=C(C(=C1)C(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O)C(=O)OC