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4-Isoxazolecarboxylic acid, 5-[(aminocarbonyl)amino]-4,5-dihydro-3-phenyl-, cis-
SpectraBase Compound ID Kn1ki8ih7Jl
InChI InChI=1S/C11H11N3O4/c12-11(17)13-9-7(10(15)16)8(14-18-9)6-4-2-1-3-5-6/h1-5,7,9H,(H,15,16)(H3,12,13,17)/t7-,9+/m0/s1
InChIKey IFRGZJBEYXQBSK-IONNQARKSA-N
Mol Weight 249.23 g/mol
Molecular Formula C11H11N3O4
Exact Mass 249.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3j4kSow6dc
Name 4-Isoxazolecarboxylic acid, 5-[(aminocarbonyl)amino]-4,5-dihydro-3-phenyl-, cis-
Alternate Name(s) (4S,5R)-5-[(aminocarbonyl)amino]-3-phenyl-4,5-dihydro-4-isoxazolecarboxylic acid cis-3-phenyl-5-ureido-2-isoxazoline-4-carboxylic acid
CAS Registry Number 35053-68-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O4
InChI InChI=1S/C11H11N3O4/c12-11(17)13-9-7(10(15)16)8(14-18-9)6-4-2-1-3-5-6/h1-5,7,9H,(H,15,16)(H3,12,13,17)/t7-,9+/m0/s1
InChIKey IFRGZJBEYXQBSK-IONNQARKSA-N
Molecular Weight 249.226 g/mol
SMILES OC([C@@]1([C@@](ON=C1c1ccccc1)(NC(=O)N)[H])[H])=O
SPLASH splash10-0kdl-9300000000-aea562e78506557484be
Source of Spectrum J-7-2985-3
Wiley ID 1251987