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(6R,7S)-N-(tert-butyl)-7-isobutyl-4-oxo-3-propyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-6-carboxamide
SpectraBase Compound ID JpcHAdmsPCx
InChI InChI=1S/C17H28N4O3/c1-7-8-11-13-16(23)24-14(15(22)18-17(4,5)6)12(9-10(2)3)21(13)20-19-11/h10,12,14H,7-9H2,1-6H3,(H,18,22)/t12-,14+/m0/s1
InChIKey IRQLAZYQDBDNLH-GXTWGEPZSA-N
Mol Weight 336.44 g/mol
Molecular Formula C17H28N4O3
Exact Mass 336.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jpe7fYVlg60
Name (6R,7S)-N-(tert-butyl)-7-isobutyl-4-oxo-3-propyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-6-carboxamide
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Formula C17H28N4O3
InChI InChI=1S/C17H28N4O3/c1-7-8-11-13-16(23)24-14(15(22)18-17(4,5)6)12(9-10(2)3)21(13)20-19-11/h10,12,14H,7-9H2,1-6H3,(H,18,22)/t12-,14+/m0/s1
InChIKey IRQLAZYQDBDNLH-GXTWGEPZSA-N
Literature Reference DOI 10.1021/co200072z
Molecular Weight 336.436 g/mol
SMILES N(C([C@@]1(OC(c2c(nn[n]2[C@]1(CC(C)C)[H])CCC)=O)[H])=O)C(C)(C)C
SPLASH splash10-0a4i-9400000000-7de53804724aa4a79415
Source of Spectrum ACS-13-453/SMS10-5{3,1,3}(Transdiastereoisomer)
Wiley ID 1754065