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2,3-bis[(2R,5S)-(2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-pyrazinyl)methyl]-5-methylthiophene
SpectraBase Compound ID B9fqvCYaNe6
InChI InChI=1S/C25H38N4O4S/c1-13(2)20-24(32-8)26-17(22(28-20)30-6)11-16-10-15(5)34-19(16)12-18-23(31-7)29-21(14(3)4)25(27-18)33-9/h10,13-14,17-18,20-21H,11-12H2,1-9H3/t17-,18-,20+,21+/m0/s1
InChIKey STVJVNWDBUEKMW-FMWKFLBASA-N
Mol Weight 490.7 g/mol
Molecular Formula C25H38N4O4S
Exact Mass 490.261377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVU5XfRYm2
Name 2,3-bis[(2R,5S)-(2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-pyrazinyl)methyl]-5-methylthiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38N4O4S
InChI InChI=1S/C25H38N4O4S/c1-13(2)20-24(32-8)26-17(22(28-20)30-6)11-16-10-15(5)34-19(16)12-18-23(31-7)29-21(14(3)4)25(27-18)33-9/h10,13-14,17-18,20-21H,11-12H2,1-9H3/t17-,18-,20+,21+/m0/s1
InChIKey STVJVNWDBUEKMW-FMWKFLBASA-N
Molecular Weight 490.663 g/mol
SMILES C1(=N[C@@](C(=N[C@]1(Cc1c(sc(c1)C)C[C@@]1(N=C(OC)[C@](N=C1OC)(C(C)C)[H])[H])[H])OC)(C(C)C)[H])OC
SPLASH splash10-052f-0904000000-ef2bffe5b350af64c035
Source of Spectrum SB-51-399-15
Synonyms (2R,5S)-2-isopropyl-5-[(2-{[(2S,5R)-5-isopropyl-3,6-dimethoxy-2,5-dihydro-2-pyrazinyl]methyl}-5-methyl-3-thienyl)methyl]-3,6-dimethoxy-2,5-dihydropyrazine
Wiley ID 1397211