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L-(4R,5R)-5-[(5-benzylaminocarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxyl)amino]-1,3-benzene dimethyl formate
SpectraBase Compound ID 8GIj8dbRYCF
InChI InChI=1S/C24H26N2O8/c1-24(2)33-18(20(27)25-13-14-8-6-5-7-9-14)19(34-24)21(28)26-17-11-15(22(29)31-3)10-16(12-17)23(30)32-4/h5-12,18-19H,13H2,1-4H3,(H,25,27)(H,26,28)/t18-,19-/m1/s1
InChIKey XMBSYGGFDUHQFZ-RTBURBONSA-N
Mol Weight 470.48 g/mol
Molecular Formula C24H26N2O8
Exact Mass 470.168916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31eTR6Cd1wd
Name L-(4R,5R)-5-[(5-benzylaminocarbonyl-2,2-dimethyl-1,3-dioxolane-4-carboxyl)amino]-1,3-benzene dimethyl formate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N2O8
InChI InChI=1S/C24H26N2O8/c1-24(2)33-18(20(27)25-13-14-8-6-5-7-9-14)19(34-24)21(28)26-17-11-15(22(29)31-3)10-16(12-17)23(30)32-4/h5-12,18-19H,13H2,1-4H3,(H,25,27)(H,26,28)/t18-,19-/m1/s1
InChIKey XMBSYGGFDUHQFZ-RTBURBONSA-N
Instrument Name Micromass ZabSpec
Ionization Type EI
Molecular Weight 470.478 g/mol
Optical Rotation [a]D20 = -47.8 (20mg/2ml, CH3OH)
SMILES N(c1cc(C(=O)OC)cc(C(OC)=O)c1)C([C@]1([C@](C(=O)NCc2ccccc2)(OC(O1)(C)C)[H])[H])=O
SPLASH splash10-05bf-9840500000-96f19e8a446f8bfd4bcf
Source of Spectrum CN101209976B
Wiley ID 1844538