| SpectraBase Compound ID | 4hY8FOWjOF4 |
|---|---|
| InChI | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) |
| InChIKey | NNYBQONXHNTVIJ-UHFFFAOYSA-N |
| Mol Weight | 287.36 g/mol |
| Molecular Formula | C17H21NO3 |
| Exact Mass | 287.152144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IXwXLkmaBTS |
|---|---|
| Name | Etodolac |
| CAS Registry Number | 41340-25-4 |
| Comments | Removed - expert review - decarboxylation issues |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H21NO3 |
| InChI | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20) |
| InChIKey | NNYBQONXHNTVIJ-UHFFFAOYSA-N |
| Molecular Weight | 287.359 g/mol |
| SMILES | [nH]1c2c(c3c1C(CC(O)=O)(OCC3)CC)cccc2CC |
| SPLASH | splash10-03xr-0950000000-f4e53266d9e8c297a9dc |
| Synonyms | (1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid 2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid 2-(1,8-diethyl-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro- |
| Wiley ID | 1508110 |