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4-Isoxazolecarboxylic acid, 4,5-dihydro-5-[[(methylamino)carbonyl]amino]-3-phenyl-, cis-
SpectraBase Compound ID BpYg6vIVKNr
InChI InChI=1S/C12H13N3O4/c1-13-12(18)14-10-8(11(16)17)9(15-19-10)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,16,17)(H2,13,14,18)
InChIKey RSBOIWSIKPRGAB-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 CxxatM64QZa
Name 4-Isoxazolecarboxylic acid, 4,5-dihydro-5-[[(methylamino)carbonyl]amino]-3-phenyl-, cis-
CAS Registry Number 35053-70-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O4
InChI InChI=1S/C12H13N3O4/c1-13-12(18)14-10-8(11(16)17)9(15-19-10)7-5-3-2-4-6-7/h2-6,8,10H,1H3,(H,16,17)(H2,13,14,18)
InChIKey RSBOIWSIKPRGAB-UHFFFAOYSA-N
Molecular Weight 263.253 g/mol
SMILES N(C)C(NC1C(C(O)=O)C(=NO1)c1ccccc1)=O
SPLASH splash10-0udi-9700000000-96e2f1b2da768685d915
Source of Spectrum J-7-2985-3
Synonyms 5-([(Methylamino)carbonyl]amino)-3-phenyl-4,5-dihydro-4-isoxazolecarboxylic acid 5-(methylcarbamoylamino)-3-phenyl-2-isoxazoline-4-carboxylic acid 5-(methylcarbamoylamino)-3-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid 5-(methylcarbamoylamino)-3-phenyl-4,5-dihydroisoxazole-4-carboxylic acid
Wiley ID 1266721