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Ethyl N-benzylidene-2-[(3S)-4',4'-dimethyl-3'-[(methoxycarbonyl)methyl]-5-oxacyclohexyl}glycinate
SpectraBase Compound ID Flw2MP5ilCR
InChI InChI=1S/C22H29NO5/c1-5-28-21(26)20(23-14-15-9-7-6-8-10-15)16-11-17(13-19(25)27-4)22(2,3)18(24)12-16/h6-10,14,16-17,20H,5,11-13H2,1-4H3/b23-14+/t16?,17-,20?/m0/s1
InChIKey IOMRBMZROFWAKO-GTNURASOSA-N
Mol Weight 387.48 g/mol
Molecular Formula C22H29NO5
Exact Mass 387.204573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n6XZlRsNCh
Name Ethyl N-benzylidene-2-[(3S)-4',4'-dimethyl-3'-[(methoxycarbonyl)methyl]-5-oxacyclohexyl}glycinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO5
InChI InChI=1S/C22H29NO5/c1-5-28-21(26)20(23-14-15-9-7-6-8-10-15)16-11-17(13-19(25)27-4)22(2,3)18(24)12-16/h6-10,14,16-17,20H,5,11-13H2,1-4H3/b23-14+/t16?,17-,20?/m0/s1
InChIKey IOMRBMZROFWAKO-GTNURASOSA-N
Molecular Weight 387.476 g/mol
SMILES C1(C(CC(C[C@]1(CC(=O)OC)[H])C(\N=C\c1ccccc1)C(=O)OCC)=O)(C)C
SPLASH splash10-03dl-0309000000-80ce3619a1abacdd8efa
Source of Spectrum H-80-1860-9
Wiley ID 1363424