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2,5-bis{ 3"-[(2"S,5"R)-2",5"-Dihydro-2"-isopropyl-5"-pyrazinyl]thiophene
SpectraBase Compound ID AKZG36woLyt
InChI InChI=1S/C28H36N4O4S/c1-17(2)23-27(35-7)29-21(25(31-23)33-5)13-9-11-19-15-16-20(37-19)12-10-14-22-26(34-6)32-24(18(3)4)28(30-22)36-8/h15-18,21-24H,13-14H2,1-8H3/t21-,22-,23-,24+/m1/s1
InChIKey QCXMAYDCBWMXCG-YCAMKHIRSA-N
Mol Weight 524.7 g/mol
Molecular Formula C28H36N4O4S
Exact Mass 524.245727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Qaw8ou5w0
Name 2,5-bis{ 3"-[(2"S,5"R)-2",5"-Dihydro-2"-isopropyl-5"-pyrazinyl]thiophene
Alternate Name(s) 2,5-bis{3''-[(2''S,5''R)-2'',5''-Dihydro-2''-isopropyl-5''-pyrazinyl]thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N4O4S
InChI InChI=1S/C28H36N4O4S/c1-17(2)23-27(35-7)29-21(25(31-23)33-5)13-9-11-19-15-16-20(37-19)12-10-14-22-26(34-6)32-24(18(3)4)28(30-22)36-8/h15-18,21-24H,13-14H2,1-8H3/t21-,22-,23-,24+/m1/s1
InChIKey QCXMAYDCBWMXCG-YCAMKHIRSA-N
Molecular Weight 524.680 g/mol
SMILES C1(=N[C@](C(=N[C@@]1(CC#Cc1sc(C#CC[C@]2(N=C(OC)[C@](N=C2OC)(C(C)C)[H])[H])cc1)[H])OC)(C(C)C)[H])OC
SPLASH splash10-007o-0924060000-2e75f4742bc6a2e4b5ad
Source of Spectrum SB-51-878-6
Wiley ID 1402520