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

*Links on SpectraBase are not permalinks.
2-[(3S,5S,6R)-2-keto-4,5-dimethyl-6-phenyl-3-[(E)-styryl]morpholin-3-yl]malonic acid diethyl ester
SpectraBase Compound ID EQds2MEDRE7
InChI InChI=1S/C27H31NO6/c1-5-32-24(29)22(25(30)33-6-2)27(18-17-20-13-9-7-10-14-20)26(31)34-23(19(3)28(27)4)21-15-11-8-12-16-21/h7-19,22-23H,5-6H2,1-4H3/b18-17+/t19-,23-,27-/m0/s1
InChIKey DNMZODKXUVNXMS-RXQIXRROSA-N
Mol Weight 465.55 g/mol
Molecular Formula C27H31NO6
Exact Mass 465.215138 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 GDEDy8lYvj3
Name 2-[(3S,5S,6R)-2-keto-4,5-dimethyl-6-phenyl-3-[(E)-styryl]morpholin-3-yl]malonic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31NO6
InChI InChI=1S/C27H31NO6/c1-5-32-24(29)22(25(30)33-6-2)27(18-17-20-13-9-7-10-14-20)26(31)34-23(19(3)28(27)4)21-15-11-8-12-16-21/h7-19,22-23H,5-6H2,1-4H3/b18-17+/t19-,23-,27-/m0/s1
InChIKey DNMZODKXUVNXMS-RXQIXRROSA-N
Molecular Weight 465.546 g/mol
SMILES [C@@]1(N([C@@](C)([C@](OC1=O)(c1ccccc1)[H])[H])C)(C(C(=O)OCC)C(=O)OCC)\C=C\c1ccccc1
SPLASH splash10-0a4i-0009100000-4cb0b71a715f9f0915ad
Source of Spectrum KC-0-3592-18
Synonyms 2-[(3S,5S,6R)-4,5-dimethyl-2-oxo-6-phenyl-3-[(E)-2-phenylethenyl]-3-morpholinyl]propanedioic acid diethyl ester diethyl 2-[(3S,5S,6R)-4,5-dimethyl-2-oxidanylidene-6-phenyl-3-[(E)-2-phenylethenyl]morpholin-3-yl]propanedioate diethyl 2-[(3S,5S,6R)-4,5-dimethyl-2-oxo-6-phenyl-3-[(E)-2-phenylethenyl]morpholin-3-yl]propanedioate diethyl 2-[(3S,5S,6R)-4,5-dimethyl-2-oxo-6-phenyl-3-[(E)-styryl]morpholin-3-yl]propanedioate
Wiley ID 782806