SpectraBase Compound ID | 22WK8JsQxk8 |
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InChI | InChI=1S/C10H13NO/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+ |
InChIKey | JIKVSVGGHFUVPX-DHZHZOJOSA-N |
Mol Weight | 163.22 g/mol |
Molecular Formula | C10H13NO |
Exact Mass | 163.099714 g/mol |
SpectraBase Spectrum ID | 1ol6SvshyQU |
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Name | 1-Phenyl-N-propan-2-yl-methanimine oxide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 163.099714042 u |
Formula | C10H13NO |
InChI | InChI=1S/C10H13NO/c1-9(2)11(12)8-10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8+ |
InChIKey | JIKVSVGGHFUVPX-DHZHZOJOSA-N |
Molecular Weight | 163.220 g/mol |
SMILES | C=1(\C=[N+]/([O-])C(C)C)C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847587 |