| SpectraBase Compound ID | JxPUsDjvYmT |
|---|---|
| InChI | InChI=1S/C13H20O/c1-11-6-5-7-12(8-11)9-14-10-13(2,3)4/h5-8H,9-10H2,1-4H3 |
| InChIKey | AGBLWVRAXHXNJN-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2ZakVFdY5LN |
|---|---|
| Name | (3-Methylphenyl) methanol, neopentyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-11-6-5-7-12(8-11)9-14-10-13(2,3)4/h5-8H,9-10H2,1-4H3 |
| InChIKey | AGBLWVRAXHXNJN-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C1=C(C=CC=C1COCC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956441 |