For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(3R,5R)-Diethyl 4-Butyl-3,5-diphenyl-[1,2,4]-triazole-1,2-dicarboxylate

View entire compound with spectra: 1 MS (GC)

(3R,5R)-Diethyl 4-Butyl-3,5-diphenyl-[1,2,4]-triazole-1,2-dicarboxylate
SpectraBase Compound ID AgXayzw6znL
InChI InChI=1S/C24H31N3O4/c1-4-7-18-25-21(19-14-10-8-11-15-19)26(23(28)30-5-2)27(24(29)31-6-3)22(25)20-16-12-9-13-17-20/h8-17,21-22H,4-7,18H2,1-3H3/t21-,22-/m1/s1
InChIKey IQGJDERMAGWQSC-FGZHOGPDSA-N
Mol Weight 425.53 g/mol
Molecular Formula C24H31N3O4
Exact Mass 425.231456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1UVRfmXMWGP
Name (3R,5R)-Diethyl 4-Butyl-3,5-diphenyl-[1,2,4]-triazole-1,2-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31N3O4
InChI InChI=1S/C24H31N3O4/c1-4-7-18-25-21(19-14-10-8-11-15-19)26(23(28)30-5-2)27(24(29)31-6-3)22(25)20-16-12-9-13-17-20/h8-17,21-22H,4-7,18H2,1-3H3/t21-,22-/m1/s1
InChIKey IQGJDERMAGWQSC-FGZHOGPDSA-N
Molecular Weight 425.529 g/mol
SMILES [C@]1(N(N([C@@](N1CCCC)(c1ccccc1)[H])C(=O)OCC)C(=O)OCC)(c1ccccc1)[H]
SPLASH splash10-0fr7-1920000000-312d665c24158f419455
Source of Spectrum C3-11-356-12
Synonyms Diethyl (3R,5R)-4-butyl-3,5-diphenyl-1,2,4-triazolidine-1,2-dicarboxylate trans-Diethyl 4-Butyl-3,5-diphenyl-[1,2,4]-triazole-1,2-dicarboxylate
Wiley ID 1576687