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

*Links on SpectraBase are not permalinks.
2-[4-(1-imidazolyl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methylpropanedioic acid ditert-butyl ester
SpectraBase Compound ID JmQ1y9RSifp
InChI InChI=1S/C30H34N6O4/c1-28(2,3)39-24(37)30(7,25(38)40-29(4,5)6)23-32-26(35-19-18-31-20-35)34-27(33-23)36(21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-20H,1-7H3
InChIKey PWTBNPZFTFFHNM-UHFFFAOYSA-N
Mol Weight 542.6 g/mol
Molecular Formula C30H34N6O4
Exact Mass 542.264154 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 AjvBmaZIvlh
Name 2-[4-(1-imidazolyl)-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methylpropanedioic acid ditert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34N6O4
InChI InChI=1S/C30H34N6O4/c1-28(2,3)39-24(37)30(7,25(38)40-29(4,5)6)23-32-26(35-19-18-31-20-35)34-27(33-23)36(21-14-10-8-11-15-21)22-16-12-9-13-17-22/h8-20H,1-7H3
InChIKey PWTBNPZFTFFHNM-UHFFFAOYSA-N
Molecular Weight 542.640 g/mol
SMILES c1(nc(nc(n1)C(C(OC(C)(C)C)=O)(C(OC(C)(C)C)=O)C)-[n]1cncc1)N(c1ccccc1)c1ccccc1
SPLASH splash10-05mx-4219030000-76d7b3fa18a9c6e4297b
Synonyms 2-[4-imidazol-1-yl-6-(N-phenylanilino)-s-triazin-2-yl]-2-methyl-malonic acid ditert-butyl ester ditert-butyl 2-[4-(diphenylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]-2-methyl-propanedioate ditert-butyl 2-[4-imidazol-1-yl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]-2-methyl-propanedioate
Wiley ID 1512247