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6-N-[(1S)-1-phenylethyl]-2-N,4-N-bis[(1R)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine

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6-N-[(1S)-1-phenylethyl]-2-N,4-N-bis[(1R)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
SpectraBase Compound ID 5Rasgm5U34f
InChI InChI=1S/C27H30N6/c1-19(22-13-7-4-8-14-22)28-25-31-26(29-20(2)23-15-9-5-10-16-23)33-27(32-25)30-21(3)24-17-11-6-12-18-24/h4-21H,1-3H3,(H3,28,29,30,31,32,33)/t19-,20-,21+/m1/s1
InChIKey HZZUGYYLTJFMJM-NJYVYQBISA-N
Mol Weight 438.58 g/mol
Molecular Formula C27H30N6
Exact Mass 438.253195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 53HWORmg2Bc
Name 6-N-[(1S)-1-Phenylethyl]-2-N,4-N-bis[(1R)-1-phenylethyl]-1,3,5-triazine-2,4,6-triamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.253194990 u
Formula C27H30N6
InChI InChI=1S/C27H30N6/c1-19(22-13-7-4-8-14-22)28-25-31-26(29-20(2)23-15-9-5-10-16-23)33-27(32-25)30-21(3)24-17-11-6-12-18-24/h4-21H,1-3H3,(H3,28,29,30,31,32,33)/t19-,20-,21+/m1/s1
InChIKey HZZUGYYLTJFMJM-NJYVYQBISA-N
Molecular Weight 438.579 g/mol
SMILES C=1(N=C(N[C@@](C=2C=CC=CC2)(C)[H])N=C(N1)N[C@](C=1C=CC=CC1)(C)[H])N[C@@](C=1C=CC=CC1)(C)[H]