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(1R,2S)-1,3,5-Tris[2-N-methylamino-1-phenylprop-1-oxymethylene]-2,4,6-trimethylbenzene

View entire compound with spectra: 1 MS (GC)

(1R,2S)-1,3,5-Tris[2-N-methylamino-1-phenylprop-1-oxymethylene]-2,4,6-trimethylbenzene
SpectraBase Compound ID 9sWqNSfJjmO
InChI InChI=1S/C42H57N3O3/c1-28-37(25-46-40(31(4)43-7)34-19-13-10-14-20-34)29(2)39(27-48-42(33(6)45-9)36-23-17-12-18-24-36)30(3)38(28)26-47-41(32(5)44-8)35-21-15-11-16-22-35/h10-33,40-45H,1-9H3/b37-25-,38-26-,39-27-/t28?,29?,30?,31?,32?,33?,40-,41?,42?/m0/s1
InChIKey VRSDAGVHXGRVFJ-CRKSCUDKSA-N
Mol Weight 651.9 g/mol
Molecular Formula C42H57N3O3
Exact Mass 651.439993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZVjAg564Xc
Name (1R,2S)-1,3,5-Tris[2-N-methylamino-1-phenylprop-1-oxymethylene]-2,4,6-trimethylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H57N3O3
InChI InChI=1S/C42H57N3O3/c1-28-37(25-46-40(31(4)43-7)34-19-13-10-14-20-34)29(2)39(27-48-42(33(6)45-9)36-23-17-12-18-24-36)30(3)38(28)26-47-41(32(5)44-8)35-21-15-11-16-22-35/h10-33,40-45H,1-9H3/b37-25-,38-26-,39-27-/t28?,29?,30?,31?,32?,33?,40-,41?,42?/m0/s1
InChIKey VRSDAGVHXGRVFJ-CRKSCUDKSA-N
Molecular Weight 651.936 g/mol
SMILES N(C(C(O\C=C\1C(\C(=C\OC(C(NC)C)c2ccccc2)C(C(C1C)=CO[C@](c1ccccc1)(C(NC)C)[H])C)C)c1ccccc1)C)C
SPLASH splash10-0udi-0102209000-15661b383fae7b7e926a
Source of Spectrum SO-0-285-13
Synonyms (1R,2S)-1,3,5-Tris[N-methyl,N-2-{(1-hydroxy-1-benzene)-propane}-amino-methy]-2,4,6-trimethylbenzene
Wiley ID 877328