SpectraBase Compound ID | F7ZgiSb0uHw |
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InChI | InChI=1S/C10H12INO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13) |
InChIKey | PSGIDUPRPSJZRV-UHFFFAOYSA-N |
Mol Weight | 289.12 g/mol |
Molecular Formula | C10H12INO |
Exact Mass | 288.996359 g/mol |
SpectraBase Spectrum ID | 4lPVJSCBFc9 |
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Name | 2-Iodo-N-isopropyl-benzamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 288.996359009 u |
Formula | C10H12INO |
InChI | InChI=1S/C10H12INO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,1-2H3,(H,12,13) |
InChIKey | PSGIDUPRPSJZRV-UHFFFAOYSA-N |
Molecular Weight | 289.116 g/mol |
SMILES | C1(C(NC(C)C)=O)=C(C=CC=C1)I |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831682 |