| SpectraBase Compound ID | 7I2Va5DQsMt |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3 |
| InChIKey | STCQQLBAPJKVAW-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3MxpcyPr3Rt |
|---|---|
| Name | 1,4-BUTANEDIOL, 3-METHYL-1-PHENYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3 |
| InChIKey | STCQQLBAPJKVAW-UHFFFAOYSA-N |
| Molecular Weight | 180.1146 |
| SMILES | OCC(CC(O)c1ccccc1)C |
| SPLASH | splash10-0a6r-6900000000-492ffccae01a595a70db |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |