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2-[[cyano-(1,3-diketoindan-2-ylidene)methyl]amino]acetic acid
SpectraBase Compound ID JsRCbCMlm5a
InChI InChI=1S/C13H8N2O4/c14-5-9(15-6-10(16)17)11-12(18)7-3-1-2-4-8(7)13(11)19/h1-4,15H,6H2,(H,16,17)
InChIKey YVMIZKQJOUGRJJ-UHFFFAOYSA-N
Mol Weight 256.22 g/mol
Molecular Formula C13H8N2O4
Exact Mass 256.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6h10yn3KAG7
Name 2-[[cyano-(1,3-diketoindan-2-ylidene)methyl]amino]acetic acid
CAS Registry Number 117457-10-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N2O4
InChI InChI=1S/C13H8N2O4/c14-5-9(15-6-10(16)17)11-12(18)7-3-1-2-4-8(7)13(11)19/h1-4,15H,6H2,(H,16,17)
InChIKey YVMIZKQJOUGRJJ-UHFFFAOYSA-N
Molecular Weight 256.217 g/mol
SMILES N(C(=C1C(c2ccccc2C1=O)=O)C#N)CC(=O)O
SPLASH splash10-03di-3390000000-50122ef1dfa478011129
Source of Spectrum KC-1988-543-5
Synonyms 2-[[cyano-(1,3-dioxo-2-indenylidene)methyl]amino]acetic acid 2-[[cyano-(1,3-dioxoindan-2-ylidene)methyl]amino]acetic acid 2-[[cyano-(1,3-dioxoinden-2-ylidene)methyl]amino]acetic acid 2-[[[1,3-bis(oxidanylidene)inden-2-ylidene]-cyano-methyl]amino]ethanoic acid
Wiley ID 1259495