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(6R,7S)-7-benzyl-N-(tert-butyl)-4-oxo-3-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-6-carboxamide
SpectraBase Compound ID 7TP7kkm8G1o
InChI InChI=1S/C23H24N4O3/c1-23(2,3)24-21(28)20-17(14-15-10-6-4-7-11-15)27-19(22(29)30-20)18(25-26-27)16-12-8-5-9-13-16/h4-13,17,20H,14H2,1-3H3,(H,24,28)/t17-,20+/m0/s1
InChIKey NODDNVXVOYSZLP-FXAWDEMLSA-N
Mol Weight 404.47 g/mol
Molecular Formula C23H24N4O3
Exact Mass 404.184841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hmdPgYOQa
Name (6R,7S)-7-benzyl-N-(tert-butyl)-4-oxo-3-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-6-carboxamide
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Formula C23H24N4O3
InChI InChI=1S/C23H24N4O3/c1-23(2,3)24-21(28)20-17(14-15-10-6-4-7-11-15)27-19(22(29)30-20)18(25-26-27)16-12-8-5-9-13-16/h4-13,17,20H,14H2,1-3H3,(H,24,28)/t17-,20+/m0/s1
InChIKey NODDNVXVOYSZLP-FXAWDEMLSA-N
Literature Reference DOI 10.1021/co200072z
Molecular Weight 404.470 g/mol
SMILES N(C(C)(C)C)C(=O)[C@@]1(OC(=O)c2c(nn[n]2[C@]1(Cc1ccccc1)[H])-c1ccccc1)[H]
SPLASH splash10-052f-9620000000-4e66d205a2a11a7a64e0
Source of Spectrum ACS-13-453/SMS13-5{1,1,4}(Transdiastereoisomer)
Wiley ID 1754058