SpectraBase Compound ID | 9hYZiU7HpR6 |
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InChI | InChI=1S/C10H13NO2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12) |
InChIKey | QIWRMPPFDARXPF-UHFFFAOYSA-N |
Mol Weight | 179.22 g/mol |
Molecular Formula | C10H13NO2 |
Exact Mass | 179.094629 g/mol |
SpectraBase Spectrum ID | 6YxKPptiAXx |
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Name | Methyl phenethylcarbamate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 179.094628661 u |
Formula | C10H13NO2 |
InChI | InChI=1S/C10H13NO2/c1-13-10(12)11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12) |
InChIKey | QIWRMPPFDARXPF-UHFFFAOYSA-N |
Molecular Weight | 179.219 g/mol |
SMILES | C(NCCC1=CC=CC=C1)(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965277 |