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5-Amino-2-(para-methoxyphenyl)-2,3-dihydro-[1.2.4]-triazolo-[1.5-A]-[1.3.5]-triazine
SpectraBase Compound ID 1YHpRmUlSIc
InChI InChI=1S/C11H12N6O/c1-18-8-4-2-7(3-5-8)9-15-11-14-6-13-10(12)17(11)16-9/h2-6,9,16H,1H3,(H2,12,13,14,15)
InChIKey BVQVGMQAUWZHPZ-UHFFFAOYSA-N
Mol Weight 244.26 g/mol
Molecular Formula C11H12N6O
Exact Mass 244.107259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 66YM8dUL2MO
Name 5-Amino-2-(para-methoxyphenyl)-2,3-dihydro-[1.2.4]-triazolo-[1.5-A]-[1.3.5]-triazine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.107259029 u
Formula C11H12N6O
InChI InChI=1S/C11H12N6O/c1-18-8-4-2-7(3-5-8)9-15-11-14-6-13-10(12)17(11)16-9/h2-6,9,16H,1H3,(H2,12,13,14,15)
InChIKey BVQVGMQAUWZHPZ-UHFFFAOYSA-N
Molecular Weight 244.258 g/mol
SMILES C=1(OC)C=CC(=CC1)C1NN2C(N)=NC=NC2=N1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867226