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1,3-bis(2',6'-Diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-1-ium-Bromide
SpectraBase Compound ID 9F7e8awNQMF
InChI InChI=1S/C28H41N2.BrH/c1-19(2)23-12-9-13-24(20(3)4)27(23)29-16-11-17-30(18-29)28-25(21(5)6)14-10-15-26(28)22(7)8;/h9-10,12-15,18-22H,11,16-17H2,1-8H3;1H/q+1;/p-1
InChIKey URPIHSAYWPXFJS-UHFFFAOYSA-M
Mol Weight 485.6 g/mol
Molecular Formula C28H41BrN2
Exact Mass 484.245312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61VDFdtPTVu
Name 1,3-bis(2',6'-Diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-1-ium-Bromide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H41BrN2
InChI InChI=1S/C28H41N2.BrH/c1-19(2)23-12-9-13-24(20(3)4)27(23)29-16-11-17-30(18-29)28-25(21(5)6)14-10-15-26(28)22(7)8;/h9-10,12-15,18-22H,11,16-17H2,1-8H3;1H/q+1;/p-1
InChIKey URPIHSAYWPXFJS-UHFFFAOYSA-M
Molecular Weight 485.554 g/mol
SMILES [Br-].C1=[N+](CCCN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
SPLASH splash10-0a4i-0000900000-6835fe327a75851e84e4
Source of Spectrum QE-15-8563-B/Br
Wiley ID 1693032