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trans,cis-4-[(Methoxycarbonyl)methyl]-5-methyl-6-phenyl-3-tosyltetrahydro-1,3-oxazin-2-one
SpectraBase Compound ID GpHyxJHpcdn
InChI InChI=1S/C21H23NO6S/c1-14-9-11-17(12-10-14)29(25,26)22-18(13-19(23)27-3)15(2)20(28-21(22)24)16-7-5-4-6-8-16/h4-12,15,18,20H,13H2,1-3H3/t15-,18-,20-/m1/s1
InChIKey KYYLZVFWJDPKDV-XFQXTVEOSA-N
Mol Weight 417.48 g/mol
Molecular Formula C21H23NO6S
Exact Mass 417.124609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9T88ZrEFUkv
Name trans,cis-4-[(Methoxycarbonyl)methyl]-5-methyl-6-phenyl-3-tosyltetrahydro-1,3-oxazin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO6S
InChI InChI=1S/C21H23NO6S/c1-14-9-11-17(12-10-14)29(25,26)22-18(13-19(23)27-3)15(2)20(28-21(22)24)16-7-5-4-6-8-16/h4-12,15,18,20H,13H2,1-3H3/t15-,18-,20-/m1/s1
InChIKey KYYLZVFWJDPKDV-XFQXTVEOSA-N
Molecular Weight 417.476 g/mol
SMILES c1(S(N2C(O[C@]([C@@]([C@]2(CC(=O)OC)[H])(C)[H])(c2ccccc2)[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0k97-8915000000-2a5cf86e39189bc4b47a
Source of Spectrum J-62-2121-12
Synonyms Methyl {(4R,5R,6R)-5-methyl-3-[(4-methylphenyl)sulfonyl]-2-oxo-6-phenyltetrahydro-2H-1,3-oxazin-4-yl}acetate
Wiley ID 1376806