| SpectraBase Compound ID | Emvtq7fh7XR |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-12(2,14)8-11(9-13)10-6-4-3-5-7-10/h3-7,11,13-14H,8-9H2,1-2H3 |
| InChIKey | KAYRIUWOKNWUIR-UHFFFAOYSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2up3sem2929 |
|---|---|
| Name | 1,4-PENTANEDIOL, 4-METHYL-2-PHENYL- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-12(2,14)8-11(9-13)10-6-4-3-5-7-10/h3-7,11,13-14H,8-9H2,1-2H3 |
| InChIKey | KAYRIUWOKNWUIR-UHFFFAOYSA-N |
| Molecular Weight | 194.1302 |
| SMILES | OCC(CC(O)(C)C)c1ccccc1 |
| SPLASH | splash10-0a6r-9800000000-1612cdc034c2c20cced8 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |