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(6R,7S)-N-(tert-butyl)-7-isobutyl-4-oxo-3-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-6-carboxamide
SpectraBase Compound ID 3qAfRQbGR3Z
InChI InChI=1S/C20H26N4O3/c1-12(2)11-14-17(18(25)21-20(3,4)5)27-19(26)16-15(22-23-24(14)16)13-9-7-6-8-10-13/h6-10,12,14,17H,11H2,1-5H3,(H,21,25)/t14-,17+/m0/s1
InChIKey JFMLZSBGIUBIRG-WMLDXEAASA-N
Mol Weight 370.45 g/mol
Molecular Formula C20H26N4O3
Exact Mass 370.200491 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A170DC6Ujs7
Name (6R,7S)-N-(tert-butyl)-7-isobutyl-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 C20H26N4O3
InChI InChI=1S/C20H26N4O3/c1-12(2)11-14-17(18(25)21-20(3,4)5)27-19(26)16-15(22-23-24(14)16)13-9-7-6-8-10-13/h6-10,12,14,17H,11H2,1-5H3,(H,21,25)/t14-,17+/m0/s1
InChIKey JFMLZSBGIUBIRG-WMLDXEAASA-N
Literature Reference DOI 10.1021/co200072z
Molecular Weight 370.453 g/mol
SMILES N(C(=O)[C@@]1(OC(=O)c2c(nn[n]2[C@]1(CC(C)C)[H])-c1ccccc1)[H])C(C)(C)C
SPLASH splash10-0a4i-5910000000-18d456913da6ae2847d2
Source of Spectrum ACS-13-453/SMS17-5{3,1,4}(Transdiastereoisomer)
Wiley ID 1754067