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2,2',2''-(ALPHA,ALPHA',ALPHA''-MESITYLENETRIYL)-TRIS-[4,5-DIHYDRO-5-(3-HYDROXYPROPYLIMINO)-4-METHYL-1,3,4-THIADIAZOLE]
SpectraBase Compound ID JZzhDk2C8Qc
InChI InChI=1S/C27H39N9O3S3/c1-34-25(28-7-4-10-37)40-22(31-34)16-19-13-20(17-23-32-35(2)26(41-23)29-8-5-11-38)15-21(14-19)18-24-33-36(3)27(42-24)30-9-6-12-39/h13-15,37-39H,4-12,16-18H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey KEDIXMODHFXRRP-IUPFWZBJSA-N
Mol Weight 633.8 g/mol
Molecular Formula C27H39N9O3S3
Exact Mass 633.2338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1P0haZ5Ok5Z
Name 2,2',2"-(.alpha.,.alpha.,.alpha.-Mesitylenetriyl)tris[5-(3-hydroxypropylimino)-4,5-dihydro-4-methyl-1,3,4-thiazole]
Alternate Name(s) 2,2',2''-(.alpha.,.alpha.,.alpha.-Mesitylenetriyl)tris[5-(3-hydroxypropylimino)-4,5-dihydro-4-methyl-1,3,4-thiazole]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39N9O3S3
InChI InChI=1S/C27H39N9O3S3/c1-34-25(28-7-4-10-37)40-22(31-34)16-19-13-20(17-23-32-35(2)26(41-23)29-8-5-11-38)15-21(14-19)18-24-33-36(3)27(42-24)30-9-6-12-39/h13-15,37-39H,4-12,16-18H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey KEDIXMODHFXRRP-IUPFWZBJSA-N
Molecular Weight 633.849 g/mol
SMILES OCCC\N=C/1SC(Cc2cc(cc(CC=3S\C(=N/CCCO)N(N3)C)c2)CC2=NN(\C(S2)=N\CCCO)C)=NN1C
SPLASH splash10-0ar0-9330000000-c0ed2f0908fb1ac07df8
Source of Spectrum H1-36-1275-13
Wiley ID 755357