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Salhen(tert-butyl)[bis(p-tolylbromide)]
SpectraBase Compound ID AG1214mXv3S
InChI InChI=1S/C50H68B2Br2N2O2/c1-35-19-23-41(24-20-35)51(53)55(33-37-29-39(47(3,4)5)31-43(45(37)57-51)49(9,10)11)27-17-15-16-18-28-56-34-38-30-40(48(6,7)8)32-44(50(12,13)14)46(38)58-52(56,54)42-25-21-36(2)22-26-42/h19-26,29-34H,15-18,27-28H2,1-14H3
InChIKey IMTSYXLDPLROCC-UHFFFAOYSA-N
Mol Weight 910.5 g/mol
Molecular Formula C50H68B2Br2N2O2
Exact Mass 908.383366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMQdtAscbuj
Name Salhen(tert-butyl)[bis(p-tolylbromide)]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H68B2Br2N2O2
InChI InChI=1S/C50H68B2Br2N2O2/c1-35-19-23-41(24-20-35)51(53)55(33-37-29-39(47(3,4)5)31-43(45(37)57-51)49(9,10)11)27-17-15-16-18-28-56-34-38-30-40(48(6,7)8)32-44(50(12,13)14)46(38)58-52(56,54)42-25-21-36(2)22-26-42/h19-26,29-34H,15-18,27-28H2,1-14H3
InChIKey IMTSYXLDPLROCC-UHFFFAOYSA-N
Molecular Weight 910.534 g/mol
SMILES C1=[N]([B](Oc2c1cc(cc2C(C)(C)C)C(C)(C)C)(c1ccc(cc1)C)Br)CCCCCC[N]=1[B](Oc2c(C1)cc(cc2C(C)(C)C)C(C)(C)C)(c1ccc(cc1)C)Br
SPLASH splash10-0002-0000003920-7f4bc60bec422171e78d
Source of Spectrum AU-666-108-6
Wiley ID 1575470