| SpectraBase Compound ID | BN3kN5u0LSQ |
|---|---|
| InChI | InChI=1S/C12H16O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13/h5-9,11H,3-4H2,1-2H3 |
| InChIKey | XPYKOJLMORBJQP-UHFFFAOYSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ds4wBvmhFs3 |
|---|---|
| Name | BENZENEBUTANAL, gamma,4-DIMETHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-10-5-7-12(8-6-10)11(2)4-3-9-13/h5-9,11H,3-4H2,1-2H3 |
| InChIKey | XPYKOJLMORBJQP-UHFFFAOYSA-N |
| Molecular Weight | 176.1197 |
| SMILES | c1(C)ccc(C(CCC=O)C)cc1 |
| SPLASH | splash10-0159-4900000000-ebf012537b723ee4c8d1 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |