[2,6-Bis(3-tert-butyloxycarbonylaminopropyl)-4'-pyren-1-ylbiphenyl-4-yl]acetic acid

SpectraBase Compound ID	2aeCcaPKz05
InChI	InChI=1S/C46H50N2O6/c1-45(2,3)53-43(51)47-24-8-12-35-26-29(28-39(49)50)27-36(13-9-25-48-44(52)54-46(4,5)6)40(35)33-16-14-30(15-17-33)37-22-20-34-19-18-31-10-7-11-32-21-23-38(37)42(34)41(31)32/h7,10-11,14-23,26-27H,8-9,12-13,24-25,28H2,1-6H3,(H,47,51)(H,48,52)(H,49,50)
InChIKey	PGADJIKAFKXBTN-UHFFFAOYSA-N Google Search
Mol Weight	726.9 g/mol
Molecular Formula	C46H50N2O6
Exact Mass	726.366887 g/mol

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SpectraBase Spectrum ID	DpFOWyOhTVZ
Name	[2,6-Bis(3-tert-butyloxycarbonylaminopropyl)-4'-pyren-1-ylbiphenyl-4-yl]acetic acid
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C46H50N2O6
InChI	InChI=1S/C46H50N2O6/c1-45(2,3)53-43(51)47-24-8-12-35-26-29(28-39(49)50)27-36(13-9-25-48-44(52)54-46(4,5)6)40(35)33-16-14-30(15-17-33)37-22-20-34-19-18-31-10-7-11-32-21-23-38(37)42(34)41(31)32/h7,10-11,14-23,26-27H,8-9,12-13,24-25,28H2,1-6H3,(H,47,51)(H,48,52)(H,49,50)
InChIKey	PGADJIKAFKXBTN-UHFFFAOYSA-N
Molecular Weight	726.914 g/mol
SMILES	N(C(OC(C)(C)C)=O)CCCc1c(c(CCCNC(OC(C)(C)C)=O)cc(c1)CC(=O)O)-c1ccc(-c2c3c4c5c(cccc5cc3)ccc4cc2)cc1
SPLASH	splash10-0006-9000000000-04df34e680a672d77e69
Source of Spectrum	SO-0-2150-11
Synonyms	[2,6-bis{3-[(tert-butoxycarbonyl)amino]propyl}-4'-(1-pyrenyl)[1,1'-biphenyl]-4-yl]acetic acid
Wiley ID	879258