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(3S,4R,5R)-Dimenthyl-2-methyl-3-phenylisoxazolidine-4,5-dicarboxylate
SpectraBase Compound ID KGykx1z4geV
InChI InChI=1S/C32H49NO5/c1-19(2)24-15-13-21(5)17-26(24)36-31(34)28-29(23-11-9-8-10-12-23)33(7)38-30(28)32(35)37-27-18-22(6)14-16-25(27)20(3)4/h8-12,19-22,24-30H,13-18H2,1-7H3/t21?,22?,24?,25?,26?,27?,28-,29-,30-/m1/s1
InChIKey HZBQUWSZWMJGNN-IQEMYGIDSA-N
Mol Weight 527.7 g/mol
Molecular Formula C32H49NO5
Exact Mass 527.361074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RKEnHmbtB1
Name (3S,4R,5R)-Dimenthyl-2-methyl-3-phenylisoxazolidine-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H49NO5
InChI InChI=1S/C32H49NO5/c1-19(2)24-15-13-21(5)17-26(24)36-31(34)28-29(23-11-9-8-10-12-23)33(7)38-30(28)32(35)37-27-18-22(6)14-16-25(27)20(3)4/h8-12,19-22,24-30H,13-18H2,1-7H3/t21?,22?,24?,25?,26?,27?,28-,29-,30-/m1/s1
InChIKey HZBQUWSZWMJGNN-IQEMYGIDSA-N
Molecular Weight 527.746 g/mol
SMILES [C@]1([C@](C(OC2C(CCC(C2)C)C(C)C)=O)([C@](c2ccccc2)([H])N(O1)C)[H])(C(OC1C(CCC(C1)C)C(C)C)=O)[H]
SPLASH splash10-01po-9711010000-85a5ab1a48579fe8fa72
Source of Spectrum F-53-7074-20
Synonyms bis(2-isopropyl-5-methylcyclohexyl) (3S,4R,5R)-2-methyl-3-phenyl-4,5-isoxazolidinedicarboxylate Dimenthyl-2-methyl-3-phenylisoxazolidine-4,5-dicarboxylate
Wiley ID 802272