| SpectraBase Compound ID | IIiqLhO0hHM |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | FEXQDZTYJVXMOS-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JHSCqIGo3iS |
|---|---|
| Name | Isopropyl benzoate |
| CAS Registry Number | 939-48-0 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-8(2)12-10(11)9-6-4-3-5-7-9/h3-8H,1-2H3 |
| InChIKey | FEXQDZTYJVXMOS-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 164.204 g/mol |
| Nominal Mass | 164 u |
| Quality | 963 |
| Retention Index | 1290 |
| SMILES | C1(C(OC(C)C)=O)=CC=CC=C1 |
| SPLASH | splash10-0ab9-8900000000-3f6cbca3c6fb1f36d1db |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | propan-2-yl benzoate |
| Technique | GC/MS |
| Wiley ID | DD2024_015293 |