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3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid
SpectraBase Compound ID Adu1Ix2UEoW
InChI InChI=1S/C10H9N3O3/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)11-12-13/h1-4H,5-6H2,(H,14,15)
InChIKey AHKDQGZBLDBPNI-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C10H9N3O3
Exact Mass 219.064391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EGA8M9qZWSC
Name 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid
CAS Registry Number 51672-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3O3
InChI InChI=1S/C10H9N3O3/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)11-12-13/h1-4H,5-6H2,(H,14,15)
InChIKey AHKDQGZBLDBPNI-UHFFFAOYSA-N
Molecular Weight 219.200 g/mol
SMILES OC(CCN1N=Nc2c(cccc2)C1=O)=O
SPLASH splash10-05u2-0910000000-2b63f081fe37f042bce1
Source of Spectrum H-68-897-6
Synonyms 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoic acid 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoic acid 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
Wiley ID 1218676