| SpectraBase Compound ID | 1T9y3B5EDQo |
|---|---|
| InChI | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
| Mol Weight | 136.15 g/mol |
| Molecular Formula | C8H8O2 |
| Exact Mass | 136.052429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8DuLaWQ0RBj |
|---|---|
| Name | BENZOIC ACID, 4-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H8O2 |
| InChI | InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 136.0522 |
| SMILES | OC(=O)c1ccc(cc1)C |
| SPLASH | splash10-00ko-9700000000-58ea7829ec7ee475bdf0 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |