Dataset
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
Chemical Information
| InChI | InChI=1S/C18H24N2O4/c1-12(21)19-9-8-13-11-20(17(22)24-18(2,3)4)16-7-6-14(23-5)10-15(13)16/h6-7,10-11H,8-9H2,1-5H3,(H,19,21) |
|---|---|
| SMILES | COc1ccc2c(c1)c(CCNC(=O)C)cn2C(=O)OC(C)(C)C |
| InChI Key | LTVUUOGTDLUGRR-UHFFFAOYSA-N |
| Exact Mass | 332.394 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/LTVUUOGTDLUGRR-UHFFFAOYSA-N/CHMO0000763 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/LTVUUOGTDLUGRR-UHFFFAOYSA-N/CHMO0000763 |
| Version | |
| Author | Georg Manolikakes |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataPublished | 2025-12-17 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | attenuated total reflectance Fourier transform infrared spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| J2.784.213E | Nikkaji |
| 11045833 | PubChem |
| 16111373 | PubChem: Thomson Pharma |
| SCHEMBL1310005 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |