| SpectraBase Spectrum ID |
JzFPo3kzigT |
| Name |
3'-[alpha-(1-Pyrrolidinyl)benzyl]-2',4',5'-trihydroxybutyrophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.178358285 u |
| Formula |
C21H25NO4 |
| InChI |
InChI=1S/C21H25NO4/c1-2-8-16(23)15-13-17(24)21(26)18(20(15)25)19(22-11-6-7-12-22)14-9-4-3-5-10-14/h3-5,9-10,13,19,24-26H,2,6-8,11-12H2,1H3 |
| InChIKey |
FHUAHUDYEPDDDJ-UHFFFAOYSA-N |
| SMILES |
OC1=C(C(=C(C=C1C(CCC)=O)O)O)C(N1CCCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.739114 |
![3'-[alpha-(1-Pyrrolidinyl)benzyl]-2',4',5'-trihydroxybutyrophenone](/api/spectrum/JzFPo3kzigT/structure.png?h=300&w=458 "3'-[alpha-(1-Pyrrolidinyl)benzyl]-2',4',5'-trihydroxybutyrophenone")
