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(-)-(1S,2S)-2-[(Pyridinylmethylene)amino]-1-phenyl-1,3-propanediyl-bis[ 3,5-dimethylbenzoate]

View entire compound with spectra: 1 MS (GC)

(-)-(1S,2S)-2-[(Pyridinylmethylene)amino]-1-phenyl-1,3-propanediyl-bis[ 3,5-dimethylbenzoate]
SpectraBase Compound ID JUiZ9wvkLDl
InChI InChI=1S/C33H32N2O4/c1-22-14-23(2)17-27(16-22)32(36)38-21-30(35-20-29-12-8-9-13-34-29)31(26-10-6-5-7-11-26)39-33(37)28-18-24(3)15-25(4)19-28/h5-20,30-31H,21H2,1-4H3/b35-20+/t30-,31-/m0/s1
InChIKey VCAPBTPZJFIDSI-VAOHWUCFSA-N
Mol Weight 520.6 g/mol
Molecular Formula C33H32N2O4
Exact Mass 520.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMAGws75pWp
Name (-)-(1S,2S)-2-[(Pyridinylmethylene)amino]-1-phenyl-1,3-propanediyl-bis[ 3,5-dimethylbenzoate]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H32N2O4
InChI InChI=1S/C33H32N2O4/c1-22-14-23(2)17-27(16-22)32(36)38-21-30(35-20-29-12-8-9-13-34-29)31(26-10-6-5-7-11-26)39-33(37)28-18-24(3)15-25(4)19-28/h5-20,30-31H,21H2,1-4H3/b35-20+/t30-,31-/m0/s1
InChIKey VCAPBTPZJFIDSI-VAOHWUCFSA-N
Molecular Weight 520.629 g/mol
SMILES C(O[C@]([C@@](\N=C\c1ncccc1)(COC(c1cc(C)cc(c1)C)=O)[H])(c1ccccc1)[H])(c1cc(C)cc(c1)C)=O
SPLASH splash10-001i-0900000000-0a0cd214cff52817957b
Source of Spectrum K-127-2294-23
Synonyms (1S,2S)-3-[(3,5-dimethylbenzoyl)oxy]-1-phenyl-2-{[(E)-2-pyridinylmethylidene]amino}propyl 3,5-dimethylbenzoate
Wiley ID 1402041