| SpectraBase Spectrum ID |
8Hj2lv728SO |
| Name |
Prestwick |
| CAS Registry Number |
41340-25-4 |
| Classification |
Pharmaceutical drug, antirheumatic (non steroidal) |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
287.152143537 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
287.359 g/mol |
| Nominal Mass |
287 u |
| Quality |
999 |
| Retention Index |
2256 |
| SMILES |
OC(CC1(C2=C(C=3C(N2)=C(C=CC3)CC)CCO1)CC)=O |
| SPLASH |
splash10-056r-1890000000-00e8050598191905ec77 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Edolan
Etodolac
2-(1,8-Diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007399 |
