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trans-4,5-Diethyl 3-(1,1,2-triphenylethyl)-2-isoxazoline-4,5-dicarboxylate
SpectraBase Compound ID 7hpPsZqgJ1I
InChI InChI=1S/C29H29NO5/c1-3-33-27(31)24-25(28(32)34-4-2)35-30-26(24)29(22-16-10-6-11-17-22,23-18-12-7-13-19-23)20-21-14-8-5-9-15-21/h5-19,24-25H,3-4,20H2,1-2H3/t24-,25+/m0/s1
InChIKey CNTZUNAUSIDKBQ-LOSJGSFVSA-N
Mol Weight 471.55 g/mol
Molecular Formula C29H29NO5
Exact Mass 471.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58voN2JS8aK
Name trans-4,5-Diethyl 3-(1,1,2-triphenylethyl)-2-isoxazoline-4,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29NO5
InChI InChI=1S/C29H29NO5/c1-3-33-27(31)24-25(28(32)34-4-2)35-30-26(24)29(22-16-10-6-11-17-22,23-18-12-7-13-19-23)20-21-14-8-5-9-15-21/h5-19,24-25H,3-4,20H2,1-2H3/t24-,25+/m0/s1
InChIKey CNTZUNAUSIDKBQ-LOSJGSFVSA-N
Molecular Weight 471.553 g/mol
SMILES C=1([C@]([C@](C(=O)OCC)(ON1)[H])(C(=O)OCC)[H])C(Cc1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-0udi-1291200000-01b6b4b872c88367d026
Source of Spectrum F-54-817-12
Synonyms Diethyl (4R,5R)-3-(1,1,2-triphenylethyl)-4,5-dihydro-4,5-isoxazoledicarboxylate trans-Diethyl 3-(1,1,2-triphenylethyl)-2-isoxazoline-4,5-dicarboxylate
Wiley ID 805270