SpectraBase Compound ID | 9puXiHvWpUv |
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InChI | InChI=1S/C10H13NO/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-6H,1,7,11H2,2H3 |
InChIKey | DGURHVNSVVCAOH-UHFFFAOYSA-N |
Mol Weight | 163.22 g/mol |
Molecular Formula | C10H13NO |
Exact Mass | 163.099714 g/mol |
SpectraBase Spectrum ID | 9Q1Y7GBpqc4 |
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Name | 2-(4-Methoxyphenyl)-2-propen-1-amine |
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/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-6H,1,7,11H2,2H3 |
InChIKey | DGURHVNSVVCAOH-UHFFFAOYSA-N |
Molecular Weight | 163.220 g/mol |
SMILES | C(C1=CC=C(C=C1)OC)(=C)CN |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926654 |