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3-Benzyl-5-(4-benzyloxyphenyl)-6-methyl-2-octanamidopyrazine
SpectraBase Compound ID CfQQ7e6w3JN
InChI InChI=1S/C33H37N3O2/c1-3-4-5-6-13-18-31(37)36-33-30(23-26-14-9-7-10-15-26)35-32(25(2)34-33)28-19-21-29(22-20-28)38-24-27-16-11-8-12-17-27/h7-12,14-17,19-22H,3-6,13,18,23-24H2,1-2H3,(H,34,36,37)
InChIKey CLBNZXSDAUPDPQ-UHFFFAOYSA-N
Mol Weight 507.7 g/mol
Molecular Formula C33H37N3O2
Exact Mass 507.288577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUGbGMSALxE
Name 3-Benzyl-5-(4-benzyloxyphenyl)-6-methyl-2-octanamidopyrazine
Alternate Name(s) N-{3-benzyl-5-[4-(benzyloxy)phenyl]-6-methyl-2-pyrazinyl}octanamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H37N3O2
InChI InChI=1S/C33H37N3O2/c1-3-4-5-6-13-18-31(37)36-33-30(23-26-14-9-7-10-15-26)35-32(25(2)34-33)28-19-21-29(22-20-28)38-24-27-16-11-8-12-17-27/h7-12,14-17,19-22H,3-6,13,18,23-24H2,1-2H3,(H,34,36,37)
InChIKey CLBNZXSDAUPDPQ-UHFFFAOYSA-N
Molecular Weight 507.678 g/mol
SMILES N(c1c(nc(c(n1)C)-c1ccc(OCc2ccccc2)cc1)Cc1ccccc1)C(=O)CCCCCCC
SPLASH splash10-0a4i-0030090000-7060cf49ee7903348697
Source of Spectrum F-62-6285-0
Wiley ID 1633924