| SpectraBase Spectrum ID |
DlYKPJ5uD1U |
| Name |
Benzyl mandelate |
| CAS Registry Number |
890-98-2 |
| Classification |
Pharmaceutical drug, spasmolytic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
242.094294308 u |
| Formula |
C15H14O3 |
| InChI |
InChI=1S/C15H14O3/c16-14(13-9-5-2-6-10-13)15(17)18-11-12-7-3-1-4-8-12/h1-10,14,16H,11H2 |
| InChIKey |
JFKWZVQEMSKSBU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
242.274 g/mol |
| Nominal Mass |
242 u |
| Quality |
971 |
| Retention Index |
1998 |
| SMILES |
OC(C1=CC=CC=C1)C(OCC=1C=CC=CC1)=O |
| SPLASH |
splash10-0a6u-9400000000-b8bfb0f7d4a41bbce103 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzylin
Benzyl-(2-hydroxy-2-phenyl) acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000230 |
