| SpectraBase Compound ID | 4frBWwOaw2z |
|---|---|
| InChI | InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2 |
| InChIKey | PCFUWBOSXMKGIP-UHFFFAOYSA-N |
| Mol Weight | 169.23 g/mol |
| Molecular Formula | C12H11N |
| Exact Mass | 169.089149 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IiMpUBmbRAn |
|---|---|
| Name | BENZOIC ACID, BENZYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C14H12O2 |
| InChI | InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2 |
| InChIKey | PCFUWBOSXMKGIP-UHFFFAOYSA-N |
| Molecular Weight | 169.0889 |
| SMILES | c1cnc(Cc2ccccc2)cc1 |
| SPLASH | splash10-014i-5900000000-3a8dacbea1e092763d7d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |