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Diethyl (3R,4R,5S)-2-[3,4-Dibenzyloxy-5-(methanesulfoxy)methylpyrrolidin-2-ylidene]malonate
SpectraBase Compound ID 4udFH8k7yZ2
InChI InChI=1S/C27H33NO9S/c1-4-33-26(29)22(27(30)34-5-2)23-25(36-17-20-14-10-7-11-15-20)24(21(28-23)18-37-38(3,31)32)35-16-19-12-8-6-9-13-19/h6-15,21,24-25,28H,4-5,16-18H2,1-3H3
InChIKey IAROUHMJBRSCOX-UHFFFAOYSA-N
Mol Weight 547.6 g/mol
Molecular Formula C27H33NO9S
Exact Mass 547.187603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWZtjSXy45Y
Name Diethyl (3R,4R,5S)-2-[3,4-Dibenzyloxy-5-(methanesulfoxy)methylpyrrolidin-2-ylidene]malonate
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Formula C27H33NO9S
InChI InChI=1S/C27H33NO9S/c1-4-33-26(29)22(27(30)34-5-2)23-25(36-17-20-14-10-7-11-15-20)24(21(28-23)18-37-38(3,31)32)35-16-19-12-8-6-9-13-19/h6-15,21,24-25,28H,4-5,16-18H2,1-3H3
InChIKey IAROUHMJBRSCOX-UHFFFAOYSA-N
Molecular Weight 547.619 g/mol
SMILES N1C(C(C(C1=C(C(=O)OCC)C(=O)OCC)OCc1ccccc1)OCc1ccccc1)COS(=O)(=O)C
SPLASH splash10-0006-9000000000-dbe3d3743ec2298d1949
Source of Spectrum F-59-3051-13c
Wiley ID 1677813