![[(13)C]-2-Methylbenzyl-methylether](/api/spectrum/EO9vdsM8Img/structure.png?h=300&w=458 "[(13)C]-2-Methylbenzyl-methylether")
| SpectraBase Compound ID | 6yc9NutYZ0A |
|---|---|
| InChI | InChI=1S/C9H12O/c1-8-5-3-4-6-9(8)7-10-2/h3-6H,7H2,1-2H3 |
| InChIKey | ACXAXLPBLVCLGC-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EO9vdsM8Img |
|---|---|
| Name | [(13)C]-2-Methylbenzyl-methylether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.088815005 u |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c1-8-5-3-4-6-9(8)7-10-2/h3-6H,7H2,1-2H3 |
| InChIKey | ACXAXLPBLVCLGC-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C(OC)C1=C(C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834876 |