![1,2-Butadiol, 2-o-[2-methylphenyl]-](/api/spectrum/JmWfiTnOpWn/structure.png?h=300&w=458 "1,2-Butadiol, 2-o-[2-methylphenyl]-")
| SpectraBase Compound ID | 6RKXgVVxXDz |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-3-10(8-12)13-11-7-5-4-6-9(11)2/h4-7,10,12H,3,8H2,1-2H3 |
| InChIKey | OSZRJTJSQACSLQ-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmWfiTnOpWn |
|---|---|
| Name | 1,2-Butadiol, 2-o-[2-methylphenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-3-10(8-12)13-11-7-5-4-6-9(11)2/h4-7,10,12H,3,8H2,1-2H3 |
| InChIKey | OSZRJTJSQACSLQ-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1(=CC=CC=C1C)OC(CC)CO |