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1,3-Bis-[3-(3,3-di-s-butylureido)-4-methylphenyl]-[1,3]diazetidin-2,4-dione
SpectraBase Compound ID IwJy6kCeVc0
InChI InChI=1S/C34H50N6O4/c1-11-23(7)37(24(8)12-2)31(41)35-29-19-27(17-15-21(29)5)39-33(43)40(34(39)44)28-18-16-22(6)30(20-28)36-32(42)38(25(9)13-3)26(10)14-4/h15-20,23-26H,11-14H2,1-10H3,(H,35,41)(H,36,42)
InChIKey QYLGEFKNSHEEHN-UHFFFAOYSA-N
Mol Weight 606.8 g/mol
Molecular Formula C34H50N6O4
Exact Mass 606.389354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FbbxDkrGnVu
Name 1,3-Bis-[3-(3,3-di-s-butylureido)-4-methylphenyl]-[1,3]diazetidin-2,4-dione
Alternate Name(s) 1,1'-((2,4-dioxo-1,3-diazetidine-1,3-diyl)bis(2-methyl-5,1-phenylene))bis(3,3-di-sec-butylurea)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H50N6O4
InChI InChI=1S/C34H50N6O4/c1-11-23(7)37(24(8)12-2)31(41)35-29-19-27(17-15-21(29)5)39-33(43)40(34(39)44)28-18-16-22(6)30(20-28)36-32(42)38(25(9)13-3)26(10)14-4/h15-20,23-26H,11-14H2,1-10H3,(H,35,41)(H,36,42)
InChIKey QYLGEFKNSHEEHN-UHFFFAOYSA-N
Molecular Weight 606.812 g/mol
SMILES N(C(N(C(CC)C)C(CC)C)=O)c1c(ccc(N2C(N(c3ccc(c(c3)NC(N(C(CC)C)C(CC)C)=O)C)C2=O)=O)c1)C
SPLASH splash10-0pb9-9600000000-4e199d1a0afdc92e167f
Source of Spectrum JF-341-618-7b
Wiley ID 1766756