| SpectraBase Spectrum ID |
59KgL20uPI |
| Name |
Benorilate |
| CAS Registry Number |
5003-48-5 |
| Classification |
Pharmaceutical drug, antirheumatic (non steroidal) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
313.095022582 u |
| Formula |
C17H15NO5 |
| InChI |
InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19) |
| InChIKey |
FEJKLNWAOXSSNR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
313.309 g/mol |
| Nominal Mass |
313 u |
| Quality |
975 |
| Retention Index |
2404 |
| SMILES |
C1(=C(C(OC=2C=CC(NC(=O)C)=CC2)=O)C=CC=C1)OC(=O)C |
| SPLASH |
splash10-0229-1900000000-6b7daeba87c82a035f31 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000213 |
