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(6RS,7S)-7-benzyl-N-tert-butyl-4-oxo-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-6-carboxamide
SpectraBase Compound ID 6LrmSfbxIq2
InChI InChI=1S/C17H20N4O3/c1-17(2,3)19-15(22)14-12(9-11-7-5-4-6-8-11)21-13(10-18-20-21)16(23)24-14/h4-8,10,12,14H,9H2,1-3H3,(H,19,22)/t12-,14?/m0/s1
InChIKey HCFBHOKXGZOCBM-NBFOIZRFSA-N
Mol Weight 328.37 g/mol
Molecular Formula C17H20N4O3
Exact Mass 328.153541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Ohml3RgvL8
Name (6RS,7S)-7-benzyl-N-tert-butyl-4-oxo-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-6-carboxamide
Alternate Name(s) (7S)-7-benzyl-N-(tert-butyl)-4-oxo-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O3
InChI InChI=1S/C17H20N4O3/c1-17(2,3)19-15(22)14-12(9-11-7-5-4-6-8-11)21-13(10-18-20-21)16(23)24-14/h4-8,10,12,14H,9H2,1-3H3,(H,19,22)/t12-,14?/m0/s1
InChIKey HCFBHOKXGZOCBM-NBFOIZRFSA-N
Literature Reference DOI 10.1021/co200072z
Molecular Weight 328.372 g/mol
SMILES N(C(C1OC(c2cnn[n]2[C@]1(Cc1ccccc1)[H])=O)=O)C(C)(C)C
SPLASH splash10-0a4l-9531000000-0cd630a46080dd1ef871
Source of Spectrum ACS-13-453/SMS3-5{1,1,1}(diastereoisomer1)
Wiley ID 1754051