| SpectraBase Spectrum ID |
KMY4blE0L2C |
| Name |
XLR11 N-(4-hydroxypentyl) metabolite |
| Alternate Name(s) |
(1-(5-fluoro-4-hydroxypentyl)-1H-indol-3-yl)(2,2,3,3-tetramethylcyclopropyl)methanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28FNO2 |
| InChI |
InChI=1S/C21H28FNO2/c1-20(2)19(21(20,3)4)18(25)16-13-23(11-7-8-14(24)12-22)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,19,24H,7-8,11-12H2,1-4H3 |
| InChIKey |
MDPXVRYUGDTVIS-UHFFFAOYSA-N |
| Molecular Weight |
345.458 g/mol |
| SMILES |
OC(CCC[n]1cc(c2ccccc12)C(=O)C1C(C1(C)C)(C)C)CF |
| SPLASH |
splash10-0002-5981000000-ae11102f9d6b1fdacef3 |
| Source of Spectrum |
SWG-33-4339-0 |
| Wiley ID |
1810955 |
