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1-Phenyl-2,3-dimethyltetrahydropyrazole hydroiodide

View entire compound with spectra: 1 FTIR

1-Phenyl-2,3-dimethyltetrahydropyrazole hydroiodide
SpectraBase Compound ID DJxFAsXNDLY
InChI InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey ZZOBLCHCPLOXCE-UHFFFAOYSA-N
Mol Weight 314.13 g/mol
Molecular Formula C11H11IN2O
Exact Mass 313.991608 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID INtEVNLemCK
Name 1-Phenyl-2,3-dimethyltetrahydropyrazole hydroiodide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.991607981 u
Formula C11H11IN2O
InChI InChI=1S/C11H11IN2O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey ZZOBLCHCPLOXCE-UHFFFAOYSA-N
Molecular Weight 314.126 g/mol
SMILES CN1N(C2=CC=CC=C2)C(=O)C(=C1C)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80557