| SpectraBase Spectrum ID |
DVzJ2tPIXUX |
| Name |
1-(1-Hydroxycyclopentyl)-2-pivaloyl-1,2,3,4-tetrahydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.204179111 u |
| Formula |
C19H27NO2 |
| InChI |
InChI=1S/C19H27NO2/c1-18(2,3)17(21)20-13-10-14-8-4-5-9-15(14)16(20)19(22)11-6-7-12-19/h4-5,8-9,16,22H,6-7,10-13H2,1-3H3 |
| InChIKey |
FVEFKTZUTUKCER-UHFFFAOYSA-N |
| SMILES |
OC1(C2N(CCC=3C=CC=CC23)C(C(C)(C)C)=O)CCCC1 |
| Spectrum/Structure Validation Score (Raman) |
0.795433 |