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1-Triazenium, 1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,3-bis(1-methylethyl)-, hydroxide, inner salt, (E)-
SpectraBase Compound ID Lo7k5iern0J
InChI InChI=1S/C14H18N4O2/c1-9(2)16-17(10(3)4)18(16)15-13(19)11-7-5-6-8-12(11)14(15)20/h5-10H,1-4H3
InChIKey OYUBOAFEVINSMV-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C14H18N4O2
Exact Mass 274.142976 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GNHJHMViiG8
Name 1-Triazenium, 1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,3-bis(1-methylethyl)-, hydroxide, inner salt, (E)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.142975834 u
Formula C14H18N4O2
InChI InChI=1S/C14H18N4O2/c1-9(2)16-17(10(3)4)18(16)15-13(19)11-7-5-6-8-12(11)14(15)20/h5-10H,1-4H3
InChIKey OYUBOAFEVINSMV-UHFFFAOYSA-N
SMILES C(N1N(N1C(C)C)N1C(C2=CC=CC=C2C1=O)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943829