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5-(2-Methylpropyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one
SpectraBase Compound ID 1WyIRMZy9uz
InChI InChI=1S/C12H13N3O4/c1-8(2)7-11-13-14(12(16)19-11)9-3-5-10(6-4-9)15(17)18/h3-6,8H,7H2,1-2H3
InChIKey ZFUCLUDPEDLKIL-UHFFFAOYSA-N
Mol Weight 263.25 g/mol
Molecular Formula C12H13N3O4
Exact Mass 263.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4QTJbeNseU
Name 5-(2-Methylpropyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one
Alternate Name(s) 5-isobutyl-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one
CAS Registry Number 28741-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O4
InChI InChI=1S/C12H13N3O4/c1-8(2)7-11-13-14(12(16)19-11)9-3-5-10(6-4-9)15(17)18/h3-6,8H,7H2,1-2H3
InChIKey ZFUCLUDPEDLKIL-UHFFFAOYSA-N
Molecular Weight 263.253 g/mol
SMILES C1(N(N=C(O1)CC(C)C)c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-03xr-0290000000-40e77ed8656ace612464
Source of Spectrum O-5-119-28
Wiley ID 1266720