| SpectraBase Spectrum ID |
AJS9Cng4u6u |
| Name |
5H-2-Pyrindinium, 6,7-dihydro-2-(p-hydroxyphenethyl)-4,7-dimethyl-, salt with trifluoroacetic acid (1:1) |
| CAS Registry Number |
5056-68-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H22F3NO3 |
| InChI |
InChI=1S/C18H21NO.C2HF3O2/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15;3-2(4,5)1(6)7/h4-7,11-13H,3,8-10H2,1-2H3;(H,6,7) |
| InChIKey |
WSTUFCKEIHWEBA-UHFFFAOYSA-N |
| Molecular Weight |
381.395 g/mol |
| SMILES |
C(C([O-])=O)(F)(F)F.Oc1ccc(CC[n+]2cc3C(CCc3c(c2)C)C)cc1 |
| SPLASH |
splash10-00rt-3920000000-a708d09bdeb76ed31876 |
| Source of Spectrum |
T-67-3936-0 |
| Synonyms |
2-[2-(4-hydroxyphenyl)ethyl]-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridinium trifluoroacetate
5-(2-(p-hydroxyphenyl)ethyl)-3,7-dimethyl-2,3-dihydro-5-azaindenium trifluoroacetate |
| Wiley ID |
55363 |
